2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(2-methyl-3-oxomorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide

C30H30ClN7O3 — CID 170774597

IUPAC2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(2-methyl-3-oxomorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide
SMILESCC1OCCN(c2cc(C3CC3)cn3cc(CNc4cc(NC(=O)C5CC5c5cccc(Cl)c5)ncn4)nc23)C1=O
InChIInChI=1S/C30H30ClN7O3/c1-17-30(40)38(7-8-41-17)25-10-20(18-5-6-18)14-37-15-22(35-28(25)37)13-32-26-12-27(34-16-33-26)36-29(39)24-11-23(24)19-3-2-4-21(31)9-19/h2-4,9-10,12,14-18,23-24H,5-8,11,13H2,1H3,(H2,32,33,34,36,39)
InChIKeyNKJBITUMCZFTPA-UHFFFAOYSA-N
MW572.07 g/mol
LogP4.76
Rot. Bonds8

About 2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(2-methyl-3-oxomorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide

2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(2-methyl-3-oxomorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide (PubChem CID 170774597) has the molecular formula C30H30ClN7O3 and a molecular weight of 572.07 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(2-methyl-3-oxomorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(2-methyl-3-oxomorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide
PubChem CID170774597
Molecular FormulaC30H30ClN7O3
Molecular Weight572.07 g/mol
Exact Mass571.21
IUPAC Name2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(2-methyl-3-oxomorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide
SMILESCC1OCCN(c2cc(C3CC3)cn3cc(CNc4cc(NC(=O)C5CC5c5cccc(Cl)c5)ncn4)nc23)C1=O
InChIInChI=1S/C30H30ClN7O3/c1-17-30(40)38(7-8-41-17)25-10-20(18-5-6-18)14-37-15-22(35-28(25)37)13-32-26-12-27(34-16-33-26)36-29(39)24-11-23(24)19-3-2-4-21(31)9-19/h2-4,9-10,12,14-18,23-24H,5-8,11,13H2,1H3,(H2,32,33,34,36,39)
InChIKeyNKJBITUMCZFTPA-UHFFFAOYSA-N
XLogP4.76
TPSA113.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.07
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(2-methyl-3-oxomorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

trans-(1S,2S)-2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(3-methyl-2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide
CID 171473406
trans-(1S,2S)-2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide
CID 165131489
trans-(1R,2R)-2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(4-hydroxypiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide
CID 175616674
(1S)-2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(4-hydroxypiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide
CID 165132862
2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide
CID 170774625
trans-(1S,2S)-N-[6-[[8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 165132160
methyl 4-[2-[[[6-[[(1S,2S)-2-(3-chlorophenyl)cyclopropanecarbonyl]amino]pyrimidin-4-yl]amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-1-methylpiperazine-2-carboxylate
CID 165133125
2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(3-fluorooxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide
CID 170774731
formic acid;trans-(1S,2S)-2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide
CID 175784658
N-[6-[[8-(azetidin-3-yloxy)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 171758423
trans-(1S,2S)-2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazin-2-yl]cyclopropane-1-carboxamide
CID 165133543
trans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[[6-cyclopropyl-8-[(1S,4R)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropane-1-carboxamide
CID 165131963

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(2-methyl-3-oxomorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(2-methyl-3-oxomorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide (CID 170774597) is 2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(2-methyl-3-oxomorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(2-methyl-3-oxomorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(2-methyl-3-oxomorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide is CC1OCCN(c2cc(C3CC3)cn3cc(CNc4cc(NC(=O)C5CC5c5cccc(Cl)c5)ncn4)nc23)C1=O.
What is the InChIKey of 2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(2-methyl-3-oxomorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide?
The InChIKey is NKJBITUMCZFTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30ClN7O3/c1-17-30(40)38(7-8-41-17)25-10-20(18-5-6-18)14-37-15-22(35-28(25)37)13-32-26-12-27(34-16-33-26)36-29(39)24-11-23(24)19-3-2-4-21(31)9-19/h2-4,9-10,12,14-18,23-24H,5-8,11,13H2,1H3,(H2,32,33,34,36,39).
What are the key properties of 2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(2-methyl-3-oxomorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide?
2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(2-methyl-3-oxomorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide has a molecular weight of 572.07 g/mol, XLogP of 4.76, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(2-methyl-3-oxomorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 170774597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).