3-[2-[[6-[4-(2-fluoropropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-2-oxoethyl]-5-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazole-4-carboxamide

C25H33FN8O3 — CID 146489943

IUPAC3-[2-[[6-[4-(2-fluoropropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-2-oxoethyl]-5-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazole-4-carboxamide
SMILESCNc1ncn(CC(=O)Nc2cccc(N3CCC(C(C)(C)F)CC3)n2)c1C(=O)NCc1cc(C)on1
InChIInChI=1S/C25H33FN8O3/c1-16-12-18(32-37-16)13-28-24(36)22-23(27-4)29-15-34(22)14-21(35)31-19-6-5-7-20(30-19)33-10-8-17(9-11-33)25(2,3)26/h5-7,12,15,17,27H,8-11,13-14H2,1-4H3,(H,28,36)(H,30,31,35)
InChIKeyQYXZNIJHYCYTLY-UHFFFAOYSA-N
MW512.59 g/mol
LogP3.15
Rot. Bonds9

About 3-[2-[[6-[4-(2-fluoropropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-2-oxoethyl]-5-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazole-4-carboxamide

3-[2-[[6-[4-(2-fluoropropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-2-oxoethyl]-5-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazole-4-carboxamide (PubChem CID 146489943) has the molecular formula C25H33FN8O3 and a molecular weight of 512.59 g/mol. Its IUPAC name is 3-[2-[[6-[4-(2-fluoropropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-2-oxoethyl]-5-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-[2-[[6-[4-(2-fluoropropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-2-oxoethyl]-5-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazole-4-carboxamide
PubChem CID146489943
Molecular FormulaC25H33FN8O3
Molecular Weight512.59 g/mol
Exact Mass512.27
IUPAC Name3-[2-[[6-[4-(2-fluoropropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-2-oxoethyl]-5-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazole-4-carboxamide
SMILESCNc1ncn(CC(=O)Nc2cccc(N3CCC(C(C)(C)F)CC3)n2)c1C(=O)NCc1cc(C)on1
InChIInChI=1S/C25H33FN8O3/c1-16-12-18(32-37-16)13-28-24(36)22-23(27-4)29-15-34(22)14-21(35)31-19-6-5-7-20(30-19)33-10-8-17(9-11-33)25(2,3)26/h5-7,12,15,17,27H,8-11,13-14H2,1-4H3,(H,28,36)(H,30,31,35)
InChIKeyQYXZNIJHYCYTLY-UHFFFAOYSA-N
XLogP3.15
TPSA130.21 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.59
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-[2-[[6-[4-(2-fluoropropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-2-oxoethyl]-5-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[6-[4-(2-fluoropropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-2-oxoethyl]-5-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazole-4-carboxamide?
The IUPAC name of 3-[2-[[6-[4-(2-fluoropropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-2-oxoethyl]-5-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazole-4-carboxamide (CID 146489943) is 3-[2-[[6-[4-(2-fluoropropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-2-oxoethyl]-5-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazole-4-carboxamide.
What is the SMILES notation for 3-[2-[[6-[4-(2-fluoropropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-2-oxoethyl]-5-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazole-4-carboxamide?
The canonical SMILES for 3-[2-[[6-[4-(2-fluoropropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-2-oxoethyl]-5-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazole-4-carboxamide is CNc1ncn(CC(=O)Nc2cccc(N3CCC(C(C)(C)F)CC3)n2)c1C(=O)NCc1cc(C)on1.
What is the InChIKey of 3-[2-[[6-[4-(2-fluoropropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-2-oxoethyl]-5-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazole-4-carboxamide?
The InChIKey is QYXZNIJHYCYTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN8O3/c1-16-12-18(32-37-16)13-28-24(36)22-23(27-4)29-15-34(22)14-21(35)31-19-6-5-7-20(30-19)33-10-8-17(9-11-33)25(2,3)26/h5-7,12,15,17,27H,8-11,13-14H2,1-4H3,(H,28,36)(H,30,31,35).
What are the key properties of 3-[2-[[6-[4-(2-fluoropropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-2-oxoethyl]-5-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazole-4-carboxamide?
3-[2-[[6-[4-(2-fluoropropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-2-oxoethyl]-5-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazole-4-carboxamide has a molecular weight of 512.59 g/mol, XLogP of 3.15, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[6-[4-(2-fluoropropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-2-oxoethyl]-5-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 146489943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).