(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

C32H33ClF3N7O — CID 165131577

IUPAC(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
SMILESO=C(Nc1cc(NCc2cn3cc(C4CC4)cc(N4CCN(CC(F)(F)F)CC4)c3n2)ccn1)[C@H]1CC1c1cccc(Cl)c1
InChIInChI=1S/C32H33ClF3N7O/c33-23-3-1-2-21(12-23)26-15-27(26)31(44)40-29-14-24(6-7-37-29)38-16-25-18-43-17-22(20-4-5-20)13-28(30(43)39-25)42-10-8-41(9-11-42)19-32(34,35)36/h1-3,6-7,12-14,17-18,20,26-27H,4-5,8-11,15-16,19H2,(H2,37,38,40,44)/t26?,27-/m0/s1
InChIKeyYCDIGPHVIKUERK-GEVKEYJPSA-N
MW624.11 g/mol
LogP6.30
Rot. Bonds9

About (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

(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 (PubChem CID 165131577) has the molecular formula C32H33ClF3N7O and a molecular weight of 624.11 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID165131577
Molecular FormulaC32H33ClF3N7O
Molecular Weight624.11 g/mol
Exact Mass623.24
IUPAC Name(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
SMILESO=C(Nc1cc(NCc2cn3cc(C4CC4)cc(N4CCN(CC(F)(F)F)CC4)c3n2)ccn1)[C@H]1CC1c1cccc(Cl)c1
InChIInChI=1S/C32H33ClF3N7O/c33-23-3-1-2-21(12-23)26-15-27(26)31(44)40-29-14-24(6-7-37-29)38-16-25-18-43-17-22(20-4-5-20)13-28(30(43)39-25)42-10-8-41(9-11-42)19-32(34,35)36/h1-3,6-7,12-14,17-18,20,26-27H,4-5,8-11,15-16,19H2,(H2,37,38,40,44)/t26?,27-/m0/s1
InChIKeyYCDIGPHVIKUERK-GEVKEYJPSA-N
XLogP6.30
TPSA77.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.11
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is O=C(Nc1cc(NCc2cn3cc(C4CC4)cc(N4CCN(CC(F)(F)F)CC4)c3n2)ccn1)[C@H]1CC1c1cccc(Cl)c1.
What is the InChIKey of (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?
The InChIKey is YCDIGPHVIKUERK-GEVKEYJPSA-N. The full InChI is InChI=1S/C32H33ClF3N7O/c33-23-3-1-2-21(12-23)26-15-27(26)31(44)40-29-14-24(6-7-37-29)38-16-25-18-43-17-22(20-4-5-20)13-28(30(43)39-25)42-10-8-41(9-11-42)19-32(34,35)36/h1-3,6-7,12-14,17-18,20,26-27H,4-5,8-11,15-16,19H2,(H2,37,38,40,44)/t26?,27-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 624.11 g/mol, XLogP of 6.30, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 165131577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).