methyl 2-[2-[[[2-[[(2S)-2-(3-chlorophenyl)cyclopropanecarbonyl]amino]-4-pyridinyl]amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate

C29H28ClN5O3 — CID 167228597

IUPACmethyl 2-[2-[[[2-[[(2S)-2-(3-chlorophenyl)cyclopropanecarbonyl]amino]-4-pyridinyl]amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate
SMILESCOC(=O)Cc1cc(C2CC2)cn2cc(CNc3ccnc(NC(=O)C4C[C@@H]4c4cccc(Cl)c4)c3)nc12
InChIInChI=1S/C29H28ClN5O3/c1-38-27(36)11-19-9-20(17-5-6-17)15-35-16-23(33-28(19)35)14-32-22-7-8-31-26(12-22)34-29(37)25-13-24(25)18-3-2-4-21(30)10-18/h2-4,7-10,12,15-17,24-25H,5-6,11,13-14H2,1H3,(H2,31,32,34,37)/t24-,25?/m1/s1
InChIKeyFFKODEIMTYAXRD-IKOFQBKESA-N
MW530.03 g/mol
LogP5.33
Rot. Bonds9

About methyl 2-[2-[[[2-[[(2S)-2-(3-chlorophenyl)cyclopropanecarbonyl]amino]-4-pyridinyl]amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate

methyl 2-[2-[[[2-[[(2S)-2-(3-chlorophenyl)cyclopropanecarbonyl]amino]-4-pyridinyl]amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate (PubChem CID 167228597) has the molecular formula C29H28ClN5O3 and a molecular weight of 530.03 g/mol. Its IUPAC name is methyl 2-[2-[[[2-[[(2S)-2-(3-chlorophenyl)cyclopropanecarbonyl]amino]-4-pyridinyl]amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[[[2-[[(2S)-2-(3-chlorophenyl)cyclopropanecarbonyl]amino]-4-pyridinyl]amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate
PubChem CID167228597
Molecular FormulaC29H28ClN5O3
Molecular Weight530.03 g/mol
Exact Mass529.19
IUPAC Namemethyl 2-[2-[[[2-[[(2S)-2-(3-chlorophenyl)cyclopropanecarbonyl]amino]-4-pyridinyl]amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate
SMILESCOC(=O)Cc1cc(C2CC2)cn2cc(CNc3ccnc(NC(=O)C4C[C@@H]4c4cccc(Cl)c4)c3)nc12
InChIInChI=1S/C29H28ClN5O3/c1-38-27(36)11-19-9-20(17-5-6-17)15-35-16-23(33-28(19)35)14-32-22-7-8-31-26(12-22)34-29(37)25-13-24(25)18-3-2-4-21(30)10-18/h2-4,7-10,12,15-17,24-25H,5-6,11,13-14H2,1H3,(H2,31,32,34,37)/t24-,25?/m1/s1
InChIKeyFFKODEIMTYAXRD-IKOFQBKESA-N
XLogP5.33
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.03
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[2-[[[2-[[(2S)-2-(3-chlorophenyl)cyclopropanecarbonyl]amino]-4-pyridinyl]amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate with MolForge

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Related Compounds

trans-(1S,2S)-N-[4-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 165131687
N-[4-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 171758474
(1S)-2-(3-chlorophenyl)-N-[4-[[6-cyclopropyl-8-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropane-1-carboxamide
CID 165131577
trans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[[6-cyclopropyl-8-(3-hydroxy-1-methylazetidin-3-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropane-1-carboxamide
CID 165132856
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
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
2-(5-chloro-2-cyanophenyl)-N-[4-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropane-1-carboxamide
CID 170774574
trans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide
CID 165134136
trans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[(6-propan-2-ylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide
CID 165132388
2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-6-methoxy-2-pyridinyl]cyclopropane-1-carboxamide
CID 175507806
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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[[2-[[(2S)-2-(3-chlorophenyl)cyclopropanecarbonyl]amino]-4-pyridinyl]amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate?
The IUPAC name of methyl 2-[2-[[[2-[[(2S)-2-(3-chlorophenyl)cyclopropanecarbonyl]amino]-4-pyridinyl]amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate (CID 167228597) is methyl 2-[2-[[[2-[[(2S)-2-(3-chlorophenyl)cyclopropanecarbonyl]amino]-4-pyridinyl]amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate.
What is the SMILES notation for methyl 2-[2-[[[2-[[(2S)-2-(3-chlorophenyl)cyclopropanecarbonyl]amino]-4-pyridinyl]amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate?
The canonical SMILES for methyl 2-[2-[[[2-[[(2S)-2-(3-chlorophenyl)cyclopropanecarbonyl]amino]-4-pyridinyl]amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate is COC(=O)Cc1cc(C2CC2)cn2cc(CNc3ccnc(NC(=O)C4C[C@@H]4c4cccc(Cl)c4)c3)nc12.
What is the InChIKey of methyl 2-[2-[[[2-[[(2S)-2-(3-chlorophenyl)cyclopropanecarbonyl]amino]-4-pyridinyl]amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate?
The InChIKey is FFKODEIMTYAXRD-IKOFQBKESA-N. The full InChI is InChI=1S/C29H28ClN5O3/c1-38-27(36)11-19-9-20(17-5-6-17)15-35-16-23(33-28(19)35)14-32-22-7-8-31-26(12-22)34-29(37)25-13-24(25)18-3-2-4-21(30)10-18/h2-4,7-10,12,15-17,24-25H,5-6,11,13-14H2,1H3,(H2,31,32,34,37)/t24-,25?/m1/s1.
What are the key properties of methyl 2-[2-[[[2-[[(2S)-2-(3-chlorophenyl)cyclopropanecarbonyl]amino]-4-pyridinyl]amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate?
methyl 2-[2-[[[2-[[(2S)-2-(3-chlorophenyl)cyclopropanecarbonyl]amino]-4-pyridinyl]amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate has a molecular weight of 530.03 g/mol, XLogP of 5.33, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[[[2-[[(2S)-2-(3-chlorophenyl)cyclopropanecarbonyl]amino]-4-pyridinyl]amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate is sourced from PubChem (CID 167228597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).