trans-(1R,2R)-N-[6-[(2R,4S)-2-(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)-4-methylpyrrolidin-1-yl]pyrimidin-4-yl]-2-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide

C28H30N8O — CID 175615499

IUPACtrans-(1R,2R)-N-[6-[(2R,4S)-2-(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)-4-methylpyrrolidin-1-yl]pyrimidin-4-yl]-2-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
SMILESCc1ccnc([C@@H]2C[C@H]2C(=O)Nc2cc(N3C[C@@H](C)C[C@@H]3c3cn4cc(C5CC5)cnc4n3)ncn2)c1
InChIInChI=1S/C28H30N8O/c1-16-5-6-29-22(7-16)20-9-21(20)27(37)34-25-10-26(32-15-31-25)36-12-17(2)8-24(36)23-14-35-13-19(18-3-4-18)11-30-28(35)33-23/h5-7,10-11,13-15,17-18,20-21,24H,3-4,8-9,12H2,1-2H3,(H,31,32,34,37)/t17-,20+,21+,24+/m0/s1
InChIKeyMXCDIXGNOXWEIZ-FCIXZNIRSA-N
MW494.60 g/mol
LogP4.43
Rot. Bonds6

About trans-(1R,2R)-N-[6-[(2R,4S)-2-(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)-4-methylpyrrolidin-1-yl]pyrimidin-4-yl]-2-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-[6-[(2R,4S)-2-(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)-4-methylpyrrolidin-1-yl]pyrimidin-4-yl]-2-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide (PubChem CID 175615499) has the molecular formula C28H30N8O and a molecular weight of 494.60 g/mol. Its IUPAC name is trans-(1R,2R)-N-[6-[(2R,4S)-2-(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)-4-methylpyrrolidin-1-yl]pyrimidin-4-yl]-2-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[6-[(2R,4S)-2-(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)-4-methylpyrrolidin-1-yl]pyrimidin-4-yl]-2-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
PubChem CID175615499
Molecular FormulaC28H30N8O
Molecular Weight494.60 g/mol
Exact Mass494.25
IUPAC Nametrans-(1R,2R)-N-[6-[(2R,4S)-2-(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)-4-methylpyrrolidin-1-yl]pyrimidin-4-yl]-2-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
SMILESCc1ccnc([C@@H]2C[C@H]2C(=O)Nc2cc(N3C[C@@H](C)C[C@@H]3c3cn4cc(C5CC5)cnc4n3)ncn2)c1
InChIInChI=1S/C28H30N8O/c1-16-5-6-29-22(7-16)20-9-21(20)27(37)34-25-10-26(32-15-31-25)36-12-17(2)8-24(36)23-14-35-13-19(18-3-4-18)11-30-28(35)33-23/h5-7,10-11,13-15,17-18,20-21,24H,3-4,8-9,12H2,1-2H3,(H,31,32,34,37)/t17-,20+,21+,24+/m0/s1
InChIKeyMXCDIXGNOXWEIZ-FCIXZNIRSA-N
XLogP4.43
TPSA101.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze trans-(1R,2R)-N-[6-[(2R,4S)-2-(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)-4-methylpyrrolidin-1-yl]pyrimidin-4-yl]-2-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

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7-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 70116605
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CID 44444862
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CID 44444865
Pentanoic acid {4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amide
CID 44444866
Cyclopentanecarboxylic acid{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amide
CID 44444867
4-(8-amino-3-((6R,8aS)-octahydroindolizin-6-yl)imidazo[1,5-a]pyrazin-1-yl)-N-(4-(trifluoromethyl)pyridin-2-yl)benzamide
CID 76902377

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[6-[(2R,4S)-2-(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)-4-methylpyrrolidin-1-yl]pyrimidin-4-yl]-2-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[6-[(2R,4S)-2-(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)-4-methylpyrrolidin-1-yl]pyrimidin-4-yl]-2-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide (CID 175615499) is trans-(1R,2R)-N-[6-[(2R,4S)-2-(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)-4-methylpyrrolidin-1-yl]pyrimidin-4-yl]-2-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[6-[(2R,4S)-2-(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)-4-methylpyrrolidin-1-yl]pyrimidin-4-yl]-2-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[6-[(2R,4S)-2-(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)-4-methylpyrrolidin-1-yl]pyrimidin-4-yl]-2-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide is Cc1ccnc([C@@H]2C[C@H]2C(=O)Nc2cc(N3C[C@@H](C)C[C@@H]3c3cn4cc(C5CC5)cnc4n3)ncn2)c1.
What is the InChIKey of trans-(1R,2R)-N-[6-[(2R,4S)-2-(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)-4-methylpyrrolidin-1-yl]pyrimidin-4-yl]-2-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide?
The InChIKey is MXCDIXGNOXWEIZ-FCIXZNIRSA-N. The full InChI is InChI=1S/C28H30N8O/c1-16-5-6-29-22(7-16)20-9-21(20)27(37)34-25-10-26(32-15-31-25)36-12-17(2)8-24(36)23-14-35-13-19(18-3-4-18)11-30-28(35)33-23/h5-7,10-11,13-15,17-18,20-21,24H,3-4,8-9,12H2,1-2H3,(H,31,32,34,37)/t17-,20+,21+,24+/m0/s1.
What are the key properties of trans-(1R,2R)-N-[6-[(2R,4S)-2-(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)-4-methylpyrrolidin-1-yl]pyrimidin-4-yl]-2-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-[6-[(2R,4S)-2-(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)-4-methylpyrrolidin-1-yl]pyrimidin-4-yl]-2-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide has a molecular weight of 494.60 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[6-[(2R,4S)-2-(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)-4-methylpyrrolidin-1-yl]pyrimidin-4-yl]-2-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 175615499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).