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

C21H17FN6O — CID 45269335

IUPACN-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-5-(6-fluoro-3-pyridinyl)pyrimidine-2-carboxamide
SMILESCc1c(C2CC2)nc2ccc(NC(=O)c3ncc(-c4ccc(F)nc4)cn3)cn12
InChIInChI=1S/C21H17FN6O/c1-12-19(13-2-3-13)27-18-7-5-16(11-28(12)18)26-21(29)20-24-9-15(10-25-20)14-4-6-17(22)23-8-14/h4-11,13H,2-3H2,1H3,(H,26,29)
InChIKeyPEVFBZDBXNHDKV-UHFFFAOYSA-N
MW388.41 g/mol
LogP3.76
Rot. Bonds4

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

N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-5-(6-fluoro-3-pyridinyl)pyrimidine-2-carboxamide (PubChem CID 45269335) has the molecular formula C21H17FN6O and a molecular weight of 388.41 g/mol. Its IUPAC name is N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-5-(6-fluoro-3-pyridinyl)pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-5-(6-fluoro-3-pyridinyl)pyrimidine-2-carboxamide
PubChem CID45269335
Molecular FormulaC21H17FN6O
Molecular Weight388.41 g/mol
Exact Mass388.14
IUPAC NameN-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-5-(6-fluoro-3-pyridinyl)pyrimidine-2-carboxamide
SMILESCc1c(C2CC2)nc2ccc(NC(=O)c3ncc(-c4ccc(F)nc4)cn3)cn12
InChIInChI=1S/C21H17FN6O/c1-12-19(13-2-3-13)27-18-7-5-16(11-28(12)18)26-21(29)20-24-9-15(10-25-20)14-4-6-17(22)23-8-14/h4-11,13H,2-3H2,1H3,(H,26,29)
InChIKeyPEVFBZDBXNHDKV-UHFFFAOYSA-N
XLogP3.76
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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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-(6-fluoro-3-pyridinyl)pyrimidine-2-carboxamide?
The IUPAC name of N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-5-(6-fluoro-3-pyridinyl)pyrimidine-2-carboxamide (CID 45269335) is N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-5-(6-fluoro-3-pyridinyl)pyrimidine-2-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-5-(6-fluoro-3-pyridinyl)pyrimidine-2-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-5-(6-fluoro-3-pyridinyl)pyrimidine-2-carboxamide is Cc1c(C2CC2)nc2ccc(NC(=O)c3ncc(-c4ccc(F)nc4)cn3)cn12.
What is the InChIKey of N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-5-(6-fluoro-3-pyridinyl)pyrimidine-2-carboxamide?
The InChIKey is PEVFBZDBXNHDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN6O/c1-12-19(13-2-3-13)27-18-7-5-16(11-28(12)18)26-21(29)20-24-9-15(10-25-20)14-4-6-17(22)23-8-14/h4-11,13H,2-3H2,1H3,(H,26,29).
What are the key properties of N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-5-(6-fluoro-3-pyridinyl)pyrimidine-2-carboxamide?
N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-5-(6-fluoro-3-pyridinyl)pyrimidine-2-carboxamide has a molecular weight of 388.41 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-5-(6-fluoro-3-pyridinyl)pyrimidine-2-carboxamide is sourced from PubChem (CID 45269335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).