N-[5-[6-(1,1-difluoroethyl)-5-methyl-3-pyridinyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide;4-[(2S)-2-methylpiperidin-1-yl]-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide;N-[5-(5-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide;N-[5-(6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide

C76H100F2N20O4 — CID 158994805

IUPACN-[5-[6-(1,1-difluoroethyl)-5-methyl-3-pyridinyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide;4-[(2S)-2-methylpiperidin-1-yl]-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide;N-[5-(5-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide;N-[5-(6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
SMILESC[C@H]1CCCCN1CCCC(=O)Nc1cc(-c2ccc3ncccc3c2)[nH]n1.Cc1cc(-c2cc(NC(=O)CCC(C)N3CCCC3)n[nH]2)cnc1C(C)(F)F.Cc1ccc(-c2cc(NC(=O)CCCN3CCCC3)n[nH]2)cn1.Cc1cncc(-c2cc(NC(=O)CCCN3CCCC3)n[nH]2)c1
InChIInChI=1S/C22H27N5O.C20H27F2N5O.2C17H23N5O/c1-16-6-2-3-12-27(16)13-5-8-22(28)24-21-15-20(25-26-21)18-9-10-19-17(14-18)7-4-11-23-19;1-13-10-15(12-23-19(13)20(3,21)22)16-11-17(26-25-16)24-18(28)7-6-14(2)27-8-4-5-9-27;1-13-6-7-14(12-18-13)15-11-16(21-20-15)19-17(23)5-4-10-22-8-2-3-9-22;1-13-9-14(12-18-11-13)15-10-16(21-20-15)19-17(23)5-4-8-22-6-2-3-7-22/h4,7,9-11,14-16H,2-3,5-6,8,12-13H2,1H3,(H2,24,25,26,28);10-12,14H,4-9H2,1-3H3,(H2,24,25,26,28);6-7,11-12H,2-5,8-10H2,1H3,(H2,19,20,21,23);9-12H,2-8H2,1H3,(H2,19,20,21,23)/t16-;;;/m0.../s1
InChIKeyJQPIUXXGSKNRIS-OKUPDQQSSA-N
MW1395.77 g/mol
LogP13.50
Rot. Bonds25

About N-[5-[6-(1,1-difluoroethyl)-5-methyl-3-pyridinyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide;4-[(2S)-2-methylpiperidin-1-yl]-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide;N-[5-(5-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide;N-[5-(6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide

N-[5-[6-(1,1-difluoroethyl)-5-methyl-3-pyridinyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide;4-[(2S)-2-methylpiperidin-1-yl]-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide;N-[5-(5-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide;N-[5-(6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide (PubChem CID 158994805) has the molecular formula C76H100F2N20O4 and a molecular weight of 1395.77 g/mol. Its IUPAC name is N-[5-[6-(1,1-difluoroethyl)-5-methyl-3-pyridinyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide;4-[(2S)-2-methylpiperidin-1-yl]-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide;N-[5-(5-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide;N-[5-(6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[5-[6-(1,1-difluoroethyl)-5-methyl-3-pyridinyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide;4-[(2S)-2-methylpiperidin-1-yl]-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide;N-[5-(5-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide;N-[5-(6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
PubChem CID158994805
Molecular FormulaC76H100F2N20O4
Molecular Weight1395.77 g/mol
Exact Mass1394.82
IUPAC NameN-[5-[6-(1,1-difluoroethyl)-5-methyl-3-pyridinyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide;4-[(2S)-2-methylpiperidin-1-yl]-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide;N-[5-(5-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide;N-[5-(6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
SMILESC[C@H]1CCCCN1CCCC(=O)Nc1cc(-c2ccc3ncccc3c2)[nH]n1.Cc1cc(-c2cc(NC(=O)CCC(C)N3CCCC3)n[nH]2)cnc1C(C)(F)F.Cc1ccc(-c2cc(NC(=O)CCCN3CCCC3)n[nH]2)cn1.Cc1cncc(-c2cc(NC(=O)CCCN3CCCC3)n[nH]2)c1
InChIInChI=1S/C22H27N5O.C20H27F2N5O.2C17H23N5O/c1-16-6-2-3-12-27(16)13-5-8-22(28)24-21-15-20(25-26-21)18-9-10-19-17(14-18)7-4-11-23-19;1-13-10-15(12-23-19(13)20(3,21)22)16-11-17(26-25-16)24-18(28)7-6-14(2)27-8-4-5-9-27;1-13-6-7-14(12-18-13)15-11-16(21-20-15)19-17(23)5-4-10-22-8-2-3-9-22;1-13-9-14(12-18-11-13)15-10-16(21-20-15)19-17(23)5-4-8-22-6-2-3-7-22/h4,7,9-11,14-16H,2-3,5-6,8,12-13H2,1H3,(H2,24,25,26,28);10-12,14H,4-9H2,1-3H3,(H2,24,25,26,28);6-7,11-12H,2-5,8-10H2,1H3,(H2,19,20,21,23);9-12H,2-8H2,1H3,(H2,19,20,21,23)/t16-;;;/m0.../s1
InChIKeyJQPIUXXGSKNRIS-OKUPDQQSSA-N
XLogP13.50
TPSA295.64 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds25
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001395.77
LogP ≤ 513.50
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze N-[5-[6-(1,1-difluoroethyl)-5-methyl-3-pyridinyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide;4-[(2S)-2-methylpiperidin-1-yl]-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide;N-[5-(5-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide;N-[5-(6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[6-(1,1-difluoroethyl)-5-methyl-3-pyridinyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide;4-[(2S)-2-methylpiperidin-1-yl]-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide;N-[5-(5-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide;N-[5-(6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide?
The IUPAC name of N-[5-[6-(1,1-difluoroethyl)-5-methyl-3-pyridinyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide;4-[(2S)-2-methylpiperidin-1-yl]-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide;N-[5-(5-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide;N-[5-(6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide (CID 158994805) is N-[5-[6-(1,1-difluoroethyl)-5-methyl-3-pyridinyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide;4-[(2S)-2-methylpiperidin-1-yl]-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide;N-[5-(5-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide;N-[5-(6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for N-[5-[6-(1,1-difluoroethyl)-5-methyl-3-pyridinyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide;4-[(2S)-2-methylpiperidin-1-yl]-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide;N-[5-(5-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide;N-[5-(6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for N-[5-[6-(1,1-difluoroethyl)-5-methyl-3-pyridinyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide;4-[(2S)-2-methylpiperidin-1-yl]-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide;N-[5-(5-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide;N-[5-(6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide is C[C@H]1CCCCN1CCCC(=O)Nc1cc(-c2ccc3ncccc3c2)[nH]n1.Cc1cc(-c2cc(NC(=O)CCC(C)N3CCCC3)n[nH]2)cnc1C(C)(F)F.Cc1ccc(-c2cc(NC(=O)CCCN3CCCC3)n[nH]2)cn1.Cc1cncc(-c2cc(NC(=O)CCCN3CCCC3)n[nH]2)c1.
What is the InChIKey of N-[5-[6-(1,1-difluoroethyl)-5-methyl-3-pyridinyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide;4-[(2S)-2-methylpiperidin-1-yl]-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide;N-[5-(5-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide;N-[5-(6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide?
The InChIKey is JQPIUXXGSKNRIS-OKUPDQQSSA-N. The full InChI is InChI=1S/C22H27N5O.C20H27F2N5O.2C17H23N5O/c1-16-6-2-3-12-27(16)13-5-8-22(28)24-21-15-20(25-26-21)18-9-10-19-17(14-18)7-4-11-23-19;1-13-10-15(12-23-19(13)20(3,21)22)16-11-17(26-25-16)24-18(28)7-6-14(2)27-8-4-5-9-27;1-13-6-7-14(12-18-13)15-11-16(21-20-15)19-17(23)5-4-10-22-8-2-3-9-22;1-13-9-14(12-18-11-13)15-10-16(21-20-15)19-17(23)5-4-8-22-6-2-3-7-22/h4,7,9-11,14-16H,2-3,5-6,8,12-13H2,1H3,(H2,24,25,26,28);10-12,14H,4-9H2,1-3H3,(H2,24,25,26,28);6-7,11-12H,2-5,8-10H2,1H3,(H2,19,20,21,23);9-12H,2-8H2,1H3,(H2,19,20,21,23)/t16-;;;/m0.../s1.
What are the key properties of N-[5-[6-(1,1-difluoroethyl)-5-methyl-3-pyridinyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide;4-[(2S)-2-methylpiperidin-1-yl]-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide;N-[5-(5-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide;N-[5-(6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide?
N-[5-[6-(1,1-difluoroethyl)-5-methyl-3-pyridinyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide;4-[(2S)-2-methylpiperidin-1-yl]-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide;N-[5-(5-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide;N-[5-(6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide has a molecular weight of 1395.77 g/mol, XLogP of 13.50, 25 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-(1,1-difluoroethyl)-5-methyl-3-pyridinyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide;4-[(2S)-2-methylpiperidin-1-yl]-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide;N-[5-(5-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide;N-[5-(6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 158994805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).