1-[2-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one

C35H35FN8O2 — CID 156829007

IUPAC1-[2-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one
SMILESCc1c(-c2cc3ccc(-c4ccccc4N4CCNC4=O)nc3n2CC2CC2)nn2cc(C(=O)N3CC4CCC3[C@@H]4N)cc(F)c12
InChIInChI=1S/C35H35FN8O2/c1-19-31(40-44-18-23(14-25(36)32(19)44)34(45)43-17-22-9-11-28(43)30(22)37)29-15-21-8-10-26(39-33(21)42(29)16-20-6-7-20)24-4-2-3-5-27(24)41-13-12-38-35(41)46/h2-5,8,10,14-15,18,20,22,28,30H,6-7,9,11-13,16-17,37H2,1H3,(H,38,46)/t22?,28?,30-/m1/s1
InChIKeyKHXXINBEOGDPLZ-FMCJVZMUSA-N
MW618.72 g/mol
LogP4.97
Rot. Bonds6

About 1-[2-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one

1-[2-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one (PubChem CID 156829007) has the molecular formula C35H35FN8O2 and a molecular weight of 618.72 g/mol. Its IUPAC name is 1-[2-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one
PubChem CID156829007
Molecular FormulaC35H35FN8O2
Molecular Weight618.72 g/mol
Exact Mass618.29
IUPAC Name1-[2-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one
SMILESCc1c(-c2cc3ccc(-c4ccccc4N4CCNC4=O)nc3n2CC2CC2)nn2cc(C(=O)N3CC4CCC3[C@@H]4N)cc(F)c12
InChIInChI=1S/C35H35FN8O2/c1-19-31(40-44-18-23(14-25(36)32(19)44)34(45)43-17-22-9-11-28(43)30(22)37)29-15-21-8-10-26(39-33(21)42(29)16-20-6-7-20)24-4-2-3-5-27(24)41-13-12-38-35(41)46/h2-5,8,10,14-15,18,20,22,28,30H,6-7,9,11-13,16-17,37H2,1H3,(H,38,46)/t22?,28?,30-/m1/s1
InChIKeyKHXXINBEOGDPLZ-FMCJVZMUSA-N
XLogP4.97
TPSA113.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500618.72
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one (CID 156829007) is 1-[2-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one is Cc1c(-c2cc3ccc(-c4ccccc4N4CCNC4=O)nc3n2CC2CC2)nn2cc(C(=O)N3CC4CCC3[C@@H]4N)cc(F)c12.
What is the InChIKey of 1-[2-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one?
The InChIKey is KHXXINBEOGDPLZ-FMCJVZMUSA-N. The full InChI is InChI=1S/C35H35FN8O2/c1-19-31(40-44-18-23(14-25(36)32(19)44)34(45)43-17-22-9-11-28(43)30(22)37)29-15-21-8-10-26(39-33(21)42(29)16-20-6-7-20)24-4-2-3-5-27(24)41-13-12-38-35(41)46/h2-5,8,10,14-15,18,20,22,28,30H,6-7,9,11-13,16-17,37H2,1H3,(H,38,46)/t22?,28?,30-/m1/s1.
What are the key properties of 1-[2-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one?
1-[2-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one has a molecular weight of 618.72 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 156829007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).