trans-(1S,2S)-2-(3-chlorophenyl)-N-[3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-2-pyridinyl]cyclopropane-1-carboxamide

C26H23ClN4O2 — CID 165132329

IUPACtrans-(1S,2S)-2-(3-chlorophenyl)-N-[3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-2-pyridinyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ncccc1OCc1cn2cc(C3CC3)ccc2n1)[C@H]1C[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C26H23ClN4O2/c27-19-4-1-3-17(11-19)21-12-22(21)26(32)30-25-23(5-2-10-28-25)33-15-20-14-31-13-18(16-6-7-16)8-9-24(31)29-20/h1-5,8-11,13-14,16,21-22H,6-7,12,15H2,(H,28,30,32)/t21-,22+/m1/s1
InChIKeyKRBNWLRSIOVWTM-YADHBBJMSA-N
MW458.95 g/mol
LogP5.58
Rot. Bonds7

About trans-(1S,2S)-2-(3-chlorophenyl)-N-[3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-2-pyridinyl]cyclopropane-1-carboxamide

trans-(1S,2S)-2-(3-chlorophenyl)-N-[3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 165132329) has the molecular formula C26H23ClN4O2 and a molecular weight of 458.95 g/mol. Its IUPAC name is trans-(1S,2S)-2-(3-chlorophenyl)-N-[3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(3-chlorophenyl)-N-[3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-2-pyridinyl]cyclopropane-1-carboxamide
PubChem CID165132329
Molecular FormulaC26H23ClN4O2
Molecular Weight458.95 g/mol
Exact Mass458.15
IUPAC Nametrans-(1S,2S)-2-(3-chlorophenyl)-N-[3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-2-pyridinyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ncccc1OCc1cn2cc(C3CC3)ccc2n1)[C@H]1C[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C26H23ClN4O2/c27-19-4-1-3-17(11-19)21-12-22(21)26(32)30-25-23(5-2-10-28-25)33-15-20-14-31-13-18(16-6-7-16)8-9-24(31)29-20/h1-5,8-11,13-14,16,21-22H,6-7,12,15H2,(H,28,30,32)/t21-,22+/m1/s1
InChIKeyKRBNWLRSIOVWTM-YADHBBJMSA-N
XLogP5.58
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.95
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1S,2S)-2-(3-chlorophenyl)-N-[3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrazin-2-yl]cyclopropane-1-carboxamide
CID 165133259
2-(3-chlorophenyl)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-4-yl]cyclopropane-1-carboxamide
CID 175507786
4-[[(1S,2S)-2-(3-chlorophenyl)cyclopropanecarbonyl]amino]-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidine-2-carboxylic acid
CID 171473354
2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-6-methoxy-2-pyridinyl]cyclopropane-1-carboxamide
CID 175507806
(1S)-2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-oxo-1H-pyrimidin-6-yl]cyclopropane-1-carboxamide
CID 175507838
trans-(1R,2R)-2-(3-chlorophenyl)-N-[6-[[6-(2-methylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-methylsulfanylpyrimidin-4-yl]cyclopropane-1-carboxamide
CID 175616719
2-(3-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-N-methylcyclopropane-1-carboxamide
CID 167228524
2-(3-chlorophenyl)-N-[6-[(2S,3S,4R)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3,4-dihydroxypyrrolidin-1-yl]pyrimidin-4-yl]cyclopropane-1-carboxamide
CID 175507762
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
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
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
(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl N-(6-chloropyrimidin-4-yl)carbamate
CID 175511413

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(3-chlorophenyl)-N-[3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-2-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-(3-chlorophenyl)-N-[3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-2-pyridinyl]cyclopropane-1-carboxamide (CID 165132329) is trans-(1S,2S)-2-(3-chlorophenyl)-N-[3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-2-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-(3-chlorophenyl)-N-[3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-2-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-(3-chlorophenyl)-N-[3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-2-pyridinyl]cyclopropane-1-carboxamide is O=C(Nc1ncccc1OCc1cn2cc(C3CC3)ccc2n1)[C@H]1C[C@@H]1c1cccc(Cl)c1.
What is the InChIKey of trans-(1S,2S)-2-(3-chlorophenyl)-N-[3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-2-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is KRBNWLRSIOVWTM-YADHBBJMSA-N. The full InChI is InChI=1S/C26H23ClN4O2/c27-19-4-1-3-17(11-19)21-12-22(21)26(32)30-25-23(5-2-10-28-25)33-15-20-14-31-13-18(16-6-7-16)8-9-24(31)29-20/h1-5,8-11,13-14,16,21-22H,6-7,12,15H2,(H,28,30,32)/t21-,22+/m1/s1.
What are the key properties of trans-(1S,2S)-2-(3-chlorophenyl)-N-[3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-2-pyridinyl]cyclopropane-1-carboxamide?
trans-(1S,2S)-2-(3-chlorophenyl)-N-[3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 458.95 g/mol, XLogP of 5.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(3-chlorophenyl)-N-[3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 165132329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).