4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide

C18H19F2N7O — CID 139344294

IUPAC4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide
SMILESCC1C(C(N)=O)NCCN1c1ccnc(-c2cnc3ccc(C(F)F)cn23)n1
InChIInChI=1S/C18H19F2N7O/c1-10-15(17(21)28)22-6-7-26(10)14-4-5-23-18(25-14)12-8-24-13-3-2-11(16(19)20)9-27(12)13/h2-5,8-10,15-16,22H,6-7H2,1H3,(H2,21,28)
InChIKeyIMXFGATWTAJEND-UHFFFAOYSA-N
MW387.39 g/mol
LogP1.38
Rot. Bonds4

About 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide

4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide (PubChem CID 139344294) has the molecular formula C18H19F2N7O and a molecular weight of 387.39 g/mol. Its IUPAC name is 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide.

Molecular Properties

Compound Name4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide
PubChem CID139344294
Molecular FormulaC18H19F2N7O
Molecular Weight387.39 g/mol
Exact Mass387.16
IUPAC Name4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide
SMILESCC1C(C(N)=O)NCCN1c1ccnc(-c2cnc3ccc(C(F)F)cn23)n1
InChIInChI=1S/C18H19F2N7O/c1-10-15(17(21)28)22-6-7-26(10)14-4-5-23-18(25-14)12-8-24-13-3-2-11(16(19)20)9-27(12)13/h2-5,8-10,15-16,22H,6-7H2,1H3,(H2,21,28)
InChIKeyIMXFGATWTAJEND-UHFFFAOYSA-N
XLogP1.38
TPSA101.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide?
The IUPAC name of 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide (CID 139344294) is 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide.
What is the SMILES notation for 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide?
The canonical SMILES for 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide is CC1C(C(N)=O)NCCN1c1ccnc(-c2cnc3ccc(C(F)F)cn23)n1.
What is the InChIKey of 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide?
The InChIKey is IMXFGATWTAJEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N7O/c1-10-15(17(21)28)22-6-7-26(10)14-4-5-23-18(25-14)12-8-24-13-3-2-11(16(19)20)9-27(12)13/h2-5,8-10,15-16,22H,6-7H2,1H3,(H2,21,28).
What are the key properties of 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide?
4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide has a molecular weight of 387.39 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide is sourced from PubChem (CID 139344294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).