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

C28H27ClN6O3 — CID 175507762

IUPAC2-(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
SMILESO=C(Nc1cc(N2C[C@@H](O)[C@@H](O)[C@@H]2c2cn3cc(C4CC4)ccc3n2)ncn1)C1CC1c1cccc(Cl)c1
InChIInChI=1S/C28H27ClN6O3/c29-18-3-1-2-16(8-18)19-9-20(19)28(38)33-23-10-25(31-14-30-23)35-13-22(36)27(37)26(35)21-12-34-11-17(15-4-5-15)6-7-24(34)32-21/h1-3,6-8,10-12,14-15,19-20,22,26-27,36-37H,4-5,9,13H2,(H,30,31,33,38)/t19?,20?,22-,26+,27-/m1/s1
InChIKeyRXALHEVGMVQLTG-CXEJEAOFSA-N
MW531.02 g/mol
LogP3.68
Rot. Bonds6

About 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

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 (PubChem CID 175507762) has the molecular formula C28H27ClN6O3 and a molecular weight of 531.02 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID175507762
Molecular FormulaC28H27ClN6O3
Molecular Weight531.02 g/mol
Exact Mass530.18
IUPAC Name2-(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
SMILESO=C(Nc1cc(N2C[C@@H](O)[C@@H](O)[C@@H]2c2cn3cc(C4CC4)ccc3n2)ncn1)C1CC1c1cccc(Cl)c1
InChIInChI=1S/C28H27ClN6O3/c29-18-3-1-2-16(8-18)19-9-20(19)28(38)33-23-10-25(31-14-30-23)35-13-22(36)27(37)26(35)21-12-34-11-17(15-4-5-15)6-7-24(34)32-21/h1-3,6-8,10-12,14-15,19-20,22,26-27,36-37H,4-5,9,13H2,(H,30,31,33,38)/t19?,20?,22-,26+,27-/m1/s1
InChIKeyRXALHEVGMVQLTG-CXEJEAOFSA-N
XLogP3.68
TPSA115.88 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.02
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(Nc1cc(N2C[C@@H](O)[C@@H](O)[C@@H]2c2cn3cc(C4CC4)ccc3n2)ncn1)C1CC1c1cccc(Cl)c1.
What is the InChIKey of 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?
The InChIKey is RXALHEVGMVQLTG-CXEJEAOFSA-N. The full InChI is InChI=1S/C28H27ClN6O3/c29-18-3-1-2-16(8-18)19-9-20(19)28(38)33-23-10-25(31-14-30-23)35-13-22(36)27(37)26(35)21-12-34-11-17(15-4-5-15)6-7-24(34)32-21/h1-3,6-8,10-12,14-15,19-20,22,26-27,36-37H,4-5,9,13H2,(H,30,31,33,38)/t19?,20?,22-,26+,27-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 531.02 g/mol, XLogP of 3.68, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 175507762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).