1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-(1-methylpyrazol-4-yl)ethanone;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-pyridin-3-yl-2-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-pyridin-4-yl-2-pyridinyl)cyclobutane-1-carboxamide;1-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]cyclobutane-1-carboxamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[4-(pyridin-2-ylmethoxy)phenyl]butanamide

C123H118N28O7 — CID 159345919

IUPAC1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-(1-methylpyrazol-4-yl)ethanone;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-pyridin-3-yl-2-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-pyridin-4-yl-2-pyridinyl)cyclobutane-1-carboxamide;1-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]cyclobutane-1-carboxamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[4-(pyridin-2-ylmethoxy)phenyl]butanamide
SMILESCOc1cncc(-c2ccc(C(C)(C(=O)Nc3ccc(OCc4ccccn4)cc3)C(C)C)cc2)c1.Cn1cc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cn4)CCC3)nc2)cn1.Cn1cc(CC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(-c5cccnc5)cn4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(-c5ccncc5)cn4)CCC3)cc2)cn1
InChIInChI=1S/C30H31N3O3.2C25H22N6O.C23H22N8O.C20H21N5O/c1-21(2)30(3,24-10-8-22(9-11-24)23-17-28(35-4)19-31-18-23)29(34)33-25-12-14-27(15-13-25)36-20-26-7-5-6-16-32-26;26-24-29-15-20(16-30-24)17-2-5-21(6-3-17)25(10-1-11-25)23(32)31-22-7-4-19(14-28-22)18-8-12-27-13-9-18;26-24-29-15-20(16-30-24)17-4-7-21(8-5-17)25(10-2-11-25)23(32)31-22-9-6-19(14-28-22)18-3-1-12-27-13-18;1-31-14-18(13-29-31)16-4-6-20(26-10-16)30-21(32)23(7-2-8-23)19-5-3-15(9-25-19)17-11-27-22(24)28-12-17;1-25-13-14(10-24-25)9-18(26)20(7-2-8-20)17-5-3-15(4-6-17)16-11-22-19(21)23-12-16/h5-19,21H,20H2,1-4H3,(H,33,34);2-9,12-16H,1,10-11H2,(H2,26,29,30)(H,28,31,32);1,3-9,12-16H,2,10-11H2,(H2,26,29,30)(H,28,31,32);3-6,9-14H,2,7-8H2,1H3,(H2,24,27,28)(H,26,30,32);3-6,10-13H,2,7-9H2,1H3,(H2,21,22,23)
InChIKeyLGSKMDJIRKEEAD-UHFFFAOYSA-N
MW2100.49 g/mol
LogP20.44
Rot. Bonds29

About 1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-(1-methylpyrazol-4-yl)ethanone;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-pyridin-3-yl-2-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-pyridin-4-yl-2-pyridinyl)cyclobutane-1-carboxamide;1-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]cyclobutane-1-carboxamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[4-(pyridin-2-ylmethoxy)phenyl]butanamide

1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-(1-methylpyrazol-4-yl)ethanone;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-pyridin-3-yl-2-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-pyridin-4-yl-2-pyridinyl)cyclobutane-1-carboxamide;1-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]cyclobutane-1-carboxamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[4-(pyridin-2-ylmethoxy)phenyl]butanamide (PubChem CID 159345919) has the molecular formula C123H118N28O7 and a molecular weight of 2100.49 g/mol. Its IUPAC name is 1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-(1-methylpyrazol-4-yl)ethanone;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-pyridin-3-yl-2-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-pyridin-4-yl-2-pyridinyl)cyclobutane-1-carboxamide;1-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]cyclobutane-1-carboxamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[4-(pyridin-2-ylmethoxy)phenyl]butanamide.

Molecular Properties

Compound Name1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-(1-methylpyrazol-4-yl)ethanone;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-pyridin-3-yl-2-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-pyridin-4-yl-2-pyridinyl)cyclobutane-1-carboxamide;1-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]cyclobutane-1-carboxamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[4-(pyridin-2-ylmethoxy)phenyl]butanamide
PubChem CID159345919
Molecular FormulaC123H118N28O7
Molecular Weight2100.49 g/mol
Exact Mass2098.97
IUPAC Name1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-(1-methylpyrazol-4-yl)ethanone;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-pyridin-3-yl-2-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-pyridin-4-yl-2-pyridinyl)cyclobutane-1-carboxamide;1-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]cyclobutane-1-carboxamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[4-(pyridin-2-ylmethoxy)phenyl]butanamide
SMILESCOc1cncc(-c2ccc(C(C)(C(=O)Nc3ccc(OCc4ccccn4)cc3)C(C)C)cc2)c1.Cn1cc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cn4)CCC3)nc2)cn1.Cn1cc(CC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(-c5cccnc5)cn4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(-c5ccncc5)cn4)CCC3)cc2)cn1
InChIInChI=1S/C30H31N3O3.2C25H22N6O.C23H22N8O.C20H21N5O/c1-21(2)30(3,24-10-8-22(9-11-24)23-17-28(35-4)19-31-18-23)29(34)33-25-12-14-27(15-13-25)36-20-26-7-5-6-16-32-26;26-24-29-15-20(16-30-24)17-2-5-21(6-3-17)25(10-1-11-25)23(32)31-22-7-4-19(14-28-22)18-8-12-27-13-9-18;26-24-29-15-20(16-30-24)17-4-7-21(8-5-17)25(10-2-11-25)23(32)31-22-9-6-19(14-28-22)18-3-1-12-27-13-18;1-31-14-18(13-29-31)16-4-6-20(26-10-16)30-21(32)23(7-2-8-23)19-5-3-15(9-25-19)17-11-27-22(24)28-12-17;1-25-13-14(10-24-25)9-18(26)20(7-2-8-20)17-5-3-15(4-6-17)16-11-22-19(21)23-12-16/h5-19,21H,20H2,1-4H3,(H,33,34);2-9,12-16H,1,10-11H2,(H2,26,29,30)(H,28,31,32);1,3-9,12-16H,2,10-11H2,(H2,26,29,30)(H,28,31,32);3-6,9-14H,2,7-8H2,1H3,(H2,24,27,28)(H,26,30,32);3-6,10-13H,2,7-9H2,1H3,(H2,21,22,23)
InChIKeyLGSKMDJIRKEEAD-UHFFFAOYSA-N
XLogP20.44
TPSA497.89 Ų
H-Bond Donors8
H-Bond Acceptors31
Rotatable Bonds29
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002100.49
LogP ≤ 520.44
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1031

Analyze 1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-(1-methylpyrazol-4-yl)ethanone;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-pyridin-3-yl-2-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-pyridin-4-yl-2-pyridinyl)cyclobutane-1-carboxamide;1-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]cyclobutane-1-carboxamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[4-(pyridin-2-ylmethoxy)phenyl]butanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-(1-methylpyrazol-4-yl)ethanone;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-pyridin-3-yl-2-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-pyridin-4-yl-2-pyridinyl)cyclobutane-1-carboxamide;1-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]cyclobutane-1-carboxamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[4-(pyridin-2-ylmethoxy)phenyl]butanamide?
The IUPAC name of 1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-(1-methylpyrazol-4-yl)ethanone;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-pyridin-3-yl-2-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-pyridin-4-yl-2-pyridinyl)cyclobutane-1-carboxamide;1-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]cyclobutane-1-carboxamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[4-(pyridin-2-ylmethoxy)phenyl]butanamide (CID 159345919) is 1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-(1-methylpyrazol-4-yl)ethanone;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-pyridin-3-yl-2-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-pyridin-4-yl-2-pyridinyl)cyclobutane-1-carboxamide;1-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]cyclobutane-1-carboxamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[4-(pyridin-2-ylmethoxy)phenyl]butanamide.
What is the SMILES notation for 1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-(1-methylpyrazol-4-yl)ethanone;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-pyridin-3-yl-2-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-pyridin-4-yl-2-pyridinyl)cyclobutane-1-carboxamide;1-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]cyclobutane-1-carboxamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[4-(pyridin-2-ylmethoxy)phenyl]butanamide?
The canonical SMILES for 1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-(1-methylpyrazol-4-yl)ethanone;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-pyridin-3-yl-2-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-pyridin-4-yl-2-pyridinyl)cyclobutane-1-carboxamide;1-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]cyclobutane-1-carboxamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[4-(pyridin-2-ylmethoxy)phenyl]butanamide is COc1cncc(-c2ccc(C(C)(C(=O)Nc3ccc(OCc4ccccn4)cc3)C(C)C)cc2)c1.Cn1cc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cn4)CCC3)nc2)cn1.Cn1cc(CC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(-c5cccnc5)cn4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(-c5ccncc5)cn4)CCC3)cc2)cn1.
What is the InChIKey of 1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-(1-methylpyrazol-4-yl)ethanone;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-pyridin-3-yl-2-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-pyridin-4-yl-2-pyridinyl)cyclobutane-1-carboxamide;1-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]cyclobutane-1-carboxamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[4-(pyridin-2-ylmethoxy)phenyl]butanamide?
The InChIKey is LGSKMDJIRKEEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O3.2C25H22N6O.C23H22N8O.C20H21N5O/c1-21(2)30(3,24-10-8-22(9-11-24)23-17-28(35-4)19-31-18-23)29(34)33-25-12-14-27(15-13-25)36-20-26-7-5-6-16-32-26;26-24-29-15-20(16-30-24)17-2-5-21(6-3-17)25(10-1-11-25)23(32)31-22-7-4-19(14-28-22)18-8-12-27-13-9-18;26-24-29-15-20(16-30-24)17-4-7-21(8-5-17)25(10-2-11-25)23(32)31-22-9-6-19(14-28-22)18-3-1-12-27-13-18;1-31-14-18(13-29-31)16-4-6-20(26-10-16)30-21(32)23(7-2-8-23)19-5-3-15(9-25-19)17-11-27-22(24)28-12-17;1-25-13-14(10-24-25)9-18(26)20(7-2-8-20)17-5-3-15(4-6-17)16-11-22-19(21)23-12-16/h5-19,21H,20H2,1-4H3,(H,33,34);2-9,12-16H,1,10-11H2,(H2,26,29,30)(H,28,31,32);1,3-9,12-16H,2,10-11H2,(H2,26,29,30)(H,28,31,32);3-6,9-14H,2,7-8H2,1H3,(H2,24,27,28)(H,26,30,32);3-6,10-13H,2,7-9H2,1H3,(H2,21,22,23).
What are the key properties of 1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-(1-methylpyrazol-4-yl)ethanone;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-pyridin-3-yl-2-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-pyridin-4-yl-2-pyridinyl)cyclobutane-1-carboxamide;1-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]cyclobutane-1-carboxamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[4-(pyridin-2-ylmethoxy)phenyl]butanamide?
1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-(1-methylpyrazol-4-yl)ethanone;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-pyridin-3-yl-2-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-pyridin-4-yl-2-pyridinyl)cyclobutane-1-carboxamide;1-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]cyclobutane-1-carboxamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[4-(pyridin-2-ylmethoxy)phenyl]butanamide has a molecular weight of 2100.49 g/mol, XLogP of 20.44, 29 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-(1-methylpyrazol-4-yl)ethanone;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-pyridin-3-yl-2-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-pyridin-4-yl-2-pyridinyl)cyclobutane-1-carboxamide;1-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]cyclobutane-1-carboxamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[4-(pyridin-2-ylmethoxy)phenyl]butanamide is sourced from PubChem (CID 159345919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).