2-(5-chloro-2-cyanophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-hydroxymethyl]pyrimidin-4-yl]cyclopropane-1-carboxamide

C26H21ClN6O2 — CID 170774674

IUPAC2-(5-chloro-2-cyanophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-hydroxymethyl]pyrimidin-4-yl]cyclopropane-1-carboxamide
SMILESN#Cc1ccc(Cl)cc1C1CC1C(=O)Nc1cc(C(O)c2cn3cc(C4CC4)ccc3n2)ncn1
InChIInChI=1S/C26H21ClN6O2/c27-17-5-3-15(10-28)18(7-17)19-8-20(19)26(35)32-23-9-21(29-13-30-23)25(34)22-12-33-11-16(14-1-2-14)4-6-24(33)31-22/h3-7,9,11-14,19-20,25,34H,1-2,8H2,(H,29,30,32,35)
InChIKeyJFLWETXIPVMHTG-UHFFFAOYSA-N
MW484.95 g/mol
LogP4.35
Rot. Bonds6

About 2-(5-chloro-2-cyanophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-hydroxymethyl]pyrimidin-4-yl]cyclopropane-1-carboxamide

2-(5-chloro-2-cyanophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-hydroxymethyl]pyrimidin-4-yl]cyclopropane-1-carboxamide (PubChem CID 170774674) has the molecular formula C26H21ClN6O2 and a molecular weight of 484.95 g/mol. Its IUPAC name is 2-(5-chloro-2-cyanophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-hydroxymethyl]pyrimidin-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(5-chloro-2-cyanophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-hydroxymethyl]pyrimidin-4-yl]cyclopropane-1-carboxamide
PubChem CID170774674
Molecular FormulaC26H21ClN6O2
Molecular Weight484.95 g/mol
Exact Mass484.14
IUPAC Name2-(5-chloro-2-cyanophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-hydroxymethyl]pyrimidin-4-yl]cyclopropane-1-carboxamide
SMILESN#Cc1ccc(Cl)cc1C1CC1C(=O)Nc1cc(C(O)c2cn3cc(C4CC4)ccc3n2)ncn1
InChIInChI=1S/C26H21ClN6O2/c27-17-5-3-15(10-28)18(7-17)19-8-20(19)26(35)32-23-9-21(29-13-30-23)25(34)22-12-33-11-16(14-1-2-14)4-6-24(33)31-22/h3-7,9,11-14,19-20,25,34H,1-2,8H2,(H,29,30,32,35)
InChIKeyJFLWETXIPVMHTG-UHFFFAOYSA-N
XLogP4.35
TPSA116.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.95
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-cyanophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-hydroxymethyl]pyrimidin-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(5-chloro-2-cyanophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-hydroxymethyl]pyrimidin-4-yl]cyclopropane-1-carboxamide (CID 170774674) is 2-(5-chloro-2-cyanophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-hydroxymethyl]pyrimidin-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(5-chloro-2-cyanophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-hydroxymethyl]pyrimidin-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(5-chloro-2-cyanophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-hydroxymethyl]pyrimidin-4-yl]cyclopropane-1-carboxamide is N#Cc1ccc(Cl)cc1C1CC1C(=O)Nc1cc(C(O)c2cn3cc(C4CC4)ccc3n2)ncn1.
What is the InChIKey of 2-(5-chloro-2-cyanophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-hydroxymethyl]pyrimidin-4-yl]cyclopropane-1-carboxamide?
The InChIKey is JFLWETXIPVMHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN6O2/c27-17-5-3-15(10-28)18(7-17)19-8-20(19)26(35)32-23-9-21(29-13-30-23)25(34)22-12-33-11-16(14-1-2-14)4-6-24(33)31-22/h3-7,9,11-14,19-20,25,34H,1-2,8H2,(H,29,30,32,35).
What are the key properties of 2-(5-chloro-2-cyanophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-hydroxymethyl]pyrimidin-4-yl]cyclopropane-1-carboxamide?
2-(5-chloro-2-cyanophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-hydroxymethyl]pyrimidin-4-yl]cyclopropane-1-carboxamide has a molecular weight of 484.95 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-cyanophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-hydroxymethyl]pyrimidin-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 170774674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).