N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-5-(4-fluorophenyl)pyrimidine-2-carboxamide

C22H18FN5O — CID 23120575

IUPACN-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-5-(4-fluorophenyl)pyrimidine-2-carboxamide
SMILESCc1c(C2CC2)nc2ccc(NC(=O)c3ncc(-c4ccc(F)cc4)cn3)cn12
InChIInChI=1S/C22H18FN5O/c1-13-20(15-2-3-15)27-19-9-8-18(12-28(13)19)26-22(29)21-24-10-16(11-25-21)14-4-6-17(23)7-5-14/h4-12,15H,2-3H2,1H3,(H,26,29)
InChIKeyKHBSSGREAISYNW-UHFFFAOYSA-N
MW387.42 g/mol
LogP4.37
Rot. Bonds4

About N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-5-(4-fluorophenyl)pyrimidine-2-carboxamide

N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-5-(4-fluorophenyl)pyrimidine-2-carboxamide (PubChem CID 23120575) has the molecular formula C22H18FN5O and a molecular weight of 387.42 g/mol. Its IUPAC name is N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-5-(4-fluorophenyl)pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-5-(4-fluorophenyl)pyrimidine-2-carboxamide
PubChem CID23120575
Molecular FormulaC22H18FN5O
Molecular Weight387.42 g/mol
Exact Mass387.15
IUPAC NameN-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-5-(4-fluorophenyl)pyrimidine-2-carboxamide
SMILESCc1c(C2CC2)nc2ccc(NC(=O)c3ncc(-c4ccc(F)cc4)cn3)cn12
InChIInChI=1S/C22H18FN5O/c1-13-20(15-2-3-15)27-19-9-8-18(12-28(13)19)26-22(29)21-24-10-16(11-25-21)14-4-6-17(23)7-5-14/h4-12,15H,2-3H2,1H3,(H,26,29)
InChIKeyKHBSSGREAISYNW-UHFFFAOYSA-N
XLogP4.37
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-5-(4-fluorophenyl)pyrimidine-2-carboxamide?
The IUPAC name of N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-5-(4-fluorophenyl)pyrimidine-2-carboxamide (CID 23120575) is N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-5-(4-fluorophenyl)pyrimidine-2-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-5-(4-fluorophenyl)pyrimidine-2-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-5-(4-fluorophenyl)pyrimidine-2-carboxamide is Cc1c(C2CC2)nc2ccc(NC(=O)c3ncc(-c4ccc(F)cc4)cn3)cn12.
What is the InChIKey of N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-5-(4-fluorophenyl)pyrimidine-2-carboxamide?
The InChIKey is KHBSSGREAISYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O/c1-13-20(15-2-3-15)27-19-9-8-18(12-28(13)19)26-22(29)21-24-10-16(11-25-21)14-4-6-17(23)7-5-14/h4-12,15H,2-3H2,1H3,(H,26,29).
What are the key properties of N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-5-(4-fluorophenyl)pyrimidine-2-carboxamide?
N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-5-(4-fluorophenyl)pyrimidine-2-carboxamide has a molecular weight of 387.42 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-5-(4-fluorophenyl)pyrimidine-2-carboxamide is sourced from PubChem (CID 23120575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).