N-[6-[[(1R)-1-[6-cyclopropyl-8-[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide

C30H31N9O2 — CID 171758664

About N-[6-[[(1R)-1-[6-cyclopropyl-8-[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide

N-[6-[[(1R)-1-[6-cyclopropyl-8-[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide (PubChem CID 171758664) has the molecular formula C30H31N9O2 and a molecular weight of 549.64 g/mol. Its IUPAC name is N-[6-[[(1R)-1-[6-cyclopropyl-8-[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[6-[[(1R)-1-[6-cyclopropyl-8-[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
• PubChem CID: 171758664
• Molecular Formula: C30H31N9O2
• Molecular Weight: 549.64 g/mol
• Exact Mass: 549.26
• IUPAC Name: N-[6-[[(1R)-1-[6-cyclopropyl-8-[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
• SMILES: Cc1ccnc(C2CC2C(=O)Nc2cc(N[C@H](C)c3cn4cc(C5CC5)cc(N5C[C@@H]6C[C@@H]6C5=O)c4n3)ncn2)n1
• InChI: InChI=1S/C30H31N9O2/c1-15-5-6-31-27(34-15)21-9-22(21)29(40)37-26-10-25(32-14-33-26)35-16(2)23-13-38-11-18(17-3-4-17)8-24(28(38)36-23)39-12-19-7-20(19)30(39)41/h5-6,8,10-11,13-14,16-17,19-22H,3-4,7,9,12H2,1-2H3,(H2,32,33,35,37,40)/t16-,19+,20+,21?,22?/m1/s1
• InChIKey: VVYDDGONXHUVNN-ZLGBMCQESA-N
• XLogP: 4.00
• TPSA: 130.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.64
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[6-[[(1R)-1-[6-cyclopropyl-8-[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?

The IUPAC name of N-[6-[[(1R)-1-[6-cyclopropyl-8-[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide (CID 171758664) is N-[6-[[(1R)-1-[6-cyclopropyl-8-[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide.

What is the SMILES notation for N-[6-[[(1R)-1-[6-cyclopropyl-8-[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?

The canonical SMILES for N-[6-[[(1R)-1-[6-cyclopropyl-8-[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide is Cc1ccnc(C2CC2C(=O)Nc2cc(N[C@H](C)c3cn4cc(C5CC5)cc(N5C[C@@H]6C[C@@H]6C5=O)c4n3)ncn2)n1.

What is the InChIKey of N-[6-[[(1R)-1-[6-cyclopropyl-8-[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?

The InChIKey is VVYDDGONXHUVNN-ZLGBMCQESA-N. The full InChI is InChI=1S/C30H31N9O2/c1-15-5-6-31-27(34-15)21-9-22(21)29(40)37-26-10-25(32-14-33-26)35-16(2)23-13-38-11-18(17-3-4-17)8-24(28(38)36-23)39-12-19-7-20(19)30(39)41/h5-6,8,10-11,13-14,16-17,19-22H,3-4,7,9,12H2,1-2H3,(H2,32,33,35,37,40)/t16-,19+,20+,21?,22?/m1/s1.

What are the key properties of N-[6-[[(1R)-1-[6-cyclopropyl-8-[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?

N-[6-[[(1R)-1-[6-cyclopropyl-8-[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide has a molecular weight of 549.64 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[[(1R)-1-[6-cyclopropyl-8-[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 171758664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).