trans-(1S,2S)-2-(4-chloro-5-methyl-2-pyridinyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl-(2-hydroxyethyl)amino]-2-pyridinyl]cyclopropane-1-carboxamide

C28H29ClN6O2 — CID 165131746

IUPACtrans-(1S,2S)-2-(4-chloro-5-methyl-2-pyridinyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl-(2-hydroxyethyl)amino]-2-pyridinyl]cyclopropane-1-carboxamide
SMILESCc1cnc([C@H]2C[C@@H]2C(=O)Nc2cc(N(CCO)Cc3cn4cc(C5CC5)ccc4n3)ccn2)cc1Cl
InChIInChI=1S/C28H29ClN6O2/c1-17-13-31-25(12-24(17)29)22-11-23(22)28(37)33-26-10-21(6-7-30-26)34(8-9-36)15-20-16-35-14-19(18-2-3-18)4-5-27(35)32-20/h4-7,10,12-14,16,18,22-23,36H,2-3,8-9,11,15H2,1H3,(H,30,33,37)/t22-,23-/m0/s1
InChIKeyINPBEGUTMZPYTP-GOTSBHOMSA-N
MW517.03 g/mol
LogP4.70
Rot. Bonds9

About trans-(1S,2S)-2-(4-chloro-5-methyl-2-pyridinyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl-(2-hydroxyethyl)amino]-2-pyridinyl]cyclopropane-1-carboxamide

trans-(1S,2S)-2-(4-chloro-5-methyl-2-pyridinyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl-(2-hydroxyethyl)amino]-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 165131746) has the molecular formula C28H29ClN6O2 and a molecular weight of 517.03 g/mol. Its IUPAC name is trans-(1S,2S)-2-(4-chloro-5-methyl-2-pyridinyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl-(2-hydroxyethyl)amino]-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(4-chloro-5-methyl-2-pyridinyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl-(2-hydroxyethyl)amino]-2-pyridinyl]cyclopropane-1-carboxamide
PubChem CID165131746
Molecular FormulaC28H29ClN6O2
Molecular Weight517.03 g/mol
Exact Mass516.20
IUPAC Nametrans-(1S,2S)-2-(4-chloro-5-methyl-2-pyridinyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl-(2-hydroxyethyl)amino]-2-pyridinyl]cyclopropane-1-carboxamide
SMILESCc1cnc([C@H]2C[C@@H]2C(=O)Nc2cc(N(CCO)Cc3cn4cc(C5CC5)ccc4n3)ccn2)cc1Cl
InChIInChI=1S/C28H29ClN6O2/c1-17-13-31-25(12-24(17)29)22-11-23(22)28(37)33-26-10-21(6-7-30-26)34(8-9-36)15-20-16-35-14-19(18-2-3-18)4-5-27(35)32-20/h4-7,10,12-14,16,18,22-23,36H,2-3,8-9,11,15H2,1H3,(H,30,33,37)/t22-,23-/m0/s1
InChIKeyINPBEGUTMZPYTP-GOTSBHOMSA-N
XLogP4.70
TPSA95.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.03
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze trans-(1S,2S)-2-(4-chloro-5-methyl-2-pyridinyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl-(2-hydroxyethyl)amino]-2-pyridinyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

trans-(1S,2S)-2-(5-chlorothiophen-2-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide
CID 171473412
(1S)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 175507744
N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 165131574
[2-chloro-4-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]-5-[[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropanecarbonyl]amino]phenyl]-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamic acid
CID 174172596
trans-(1R,2R)-2-(3-amino-5-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide
CID 165133172
2-(5-chloro-2-hydroxyphenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide
CID 170774608
trans-(1S,2S)-2-[5-chloro-2-(trifluoromethyl)phenyl]-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide
CID 165133450
N-[6-cyclopropyl-4-[[6-cyclopropyl-8-[3-(2-hydroxyethyl)-2,4-dioxoimidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]-2-pyridinyl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 171758372
(2S)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methylamino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 175616298
trans-(1S,2S)-2-(5-chloro-2-cyanophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide
CID 165133671
cis-(1R,2S)-2-N-(4-chlorophenyl)-1-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]cyclopropane-1,2-dicarboxamide
CID 175616966
trans-(1S,2S)-2-(3-chlorophenyl)-N-[3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-2-pyridinyl]cyclopropane-1-carboxamide
CID 165132329

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(4-chloro-5-methyl-2-pyridinyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl-(2-hydroxyethyl)amino]-2-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-(4-chloro-5-methyl-2-pyridinyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl-(2-hydroxyethyl)amino]-2-pyridinyl]cyclopropane-1-carboxamide (CID 165131746) is trans-(1S,2S)-2-(4-chloro-5-methyl-2-pyridinyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl-(2-hydroxyethyl)amino]-2-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-(4-chloro-5-methyl-2-pyridinyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl-(2-hydroxyethyl)amino]-2-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-(4-chloro-5-methyl-2-pyridinyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl-(2-hydroxyethyl)amino]-2-pyridinyl]cyclopropane-1-carboxamide is Cc1cnc([C@H]2C[C@@H]2C(=O)Nc2cc(N(CCO)Cc3cn4cc(C5CC5)ccc4n3)ccn2)cc1Cl.
What is the InChIKey of trans-(1S,2S)-2-(4-chloro-5-methyl-2-pyridinyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl-(2-hydroxyethyl)amino]-2-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is INPBEGUTMZPYTP-GOTSBHOMSA-N. The full InChI is InChI=1S/C28H29ClN6O2/c1-17-13-31-25(12-24(17)29)22-11-23(22)28(37)33-26-10-21(6-7-30-26)34(8-9-36)15-20-16-35-14-19(18-2-3-18)4-5-27(35)32-20/h4-7,10,12-14,16,18,22-23,36H,2-3,8-9,11,15H2,1H3,(H,30,33,37)/t22-,23-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(4-chloro-5-methyl-2-pyridinyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl-(2-hydroxyethyl)amino]-2-pyridinyl]cyclopropane-1-carboxamide?
trans-(1S,2S)-2-(4-chloro-5-methyl-2-pyridinyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl-(2-hydroxyethyl)amino]-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 517.03 g/mol, XLogP of 4.70, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(4-chloro-5-methyl-2-pyridinyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl-(2-hydroxyethyl)amino]-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 165131746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).