N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-fluorophenyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide

C27H30FN7O2 — CID 71283395

IUPACN-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-fluorophenyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCn1cc(-c2ccn3c(C(=O)Nc4cc(C(=O)NCCN5CCCC5(C)C)ccc4F)cnc3c2)cn1
InChIInChI=1S/C27H30FN7O2/c1-27(2)8-4-10-34(27)12-9-29-25(36)19-5-6-21(28)22(13-19)32-26(37)23-16-30-24-14-18(7-11-35(23)24)20-15-31-33(3)17-20/h5-7,11,13-17H,4,8-10,12H2,1-3H3,(H,29,36)(H,32,37)
InChIKeyMIBCJEHHQRRSRL-UHFFFAOYSA-N
MW503.58 g/mol
LogP3.73
Rot. Bonds7

About N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-fluorophenyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide

N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-fluorophenyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71283395) has the molecular formula C27H30FN7O2 and a molecular weight of 503.58 g/mol. Its IUPAC name is N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-fluorophenyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-fluorophenyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71283395
Molecular FormulaC27H30FN7O2
Molecular Weight503.58 g/mol
Exact Mass503.24
IUPAC NameN-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-fluorophenyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCn1cc(-c2ccn3c(C(=O)Nc4cc(C(=O)NCCN5CCCC5(C)C)ccc4F)cnc3c2)cn1
InChIInChI=1S/C27H30FN7O2/c1-27(2)8-4-10-34(27)12-9-29-25(36)19-5-6-21(28)22(13-19)32-26(37)23-16-30-24-14-18(7-11-35(23)24)20-15-31-33(3)17-20/h5-7,11,13-17H,4,8-10,12H2,1-3H3,(H,29,36)(H,32,37)
InChIKeyMIBCJEHHQRRSRL-UHFFFAOYSA-N
XLogP3.73
TPSA96.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.58
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-fluorophenyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-fluorophenyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide (CID 71283395) is N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-fluorophenyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-fluorophenyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-fluorophenyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide is Cn1cc(-c2ccn3c(C(=O)Nc4cc(C(=O)NCCN5CCCC5(C)C)ccc4F)cnc3c2)cn1.
What is the InChIKey of N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-fluorophenyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is MIBCJEHHQRRSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN7O2/c1-27(2)8-4-10-34(27)12-9-29-25(36)19-5-6-21(28)22(13-19)32-26(37)23-16-30-24-14-18(7-11-35(23)24)20-15-31-33(3)17-20/h5-7,11,13-17H,4,8-10,12H2,1-3H3,(H,29,36)(H,32,37).
What are the key properties of N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-fluorophenyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-fluorophenyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 503.58 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-fluorophenyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71283395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).