N-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-pyrrolidin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide

C20H21FN6O — CID 177040231

IUPACN-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-pyrrolidin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide
SMILESCc1cn2cc(NC(=O)N3CCc4c(N5CCCC5)ccnc43)c(F)cc2n1
InChIInChI=1S/C20H21FN6O/c1-13-11-26-12-16(15(21)10-18(26)23-13)24-20(28)27-9-5-14-17(4-6-22-19(14)27)25-7-2-3-8-25/h4,6,10-12H,2-3,5,7-9H2,1H3,(H,24,28)
InChIKeyFSARLDQYYDAWTN-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.37
Rot. Bonds2

About N-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-pyrrolidin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide

N-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-pyrrolidin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide (PubChem CID 177040231) has the molecular formula C20H21FN6O and a molecular weight of 380.43 g/mol. Its IUPAC name is N-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-pyrrolidin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-pyrrolidin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide
PubChem CID177040231
Molecular FormulaC20H21FN6O
Molecular Weight380.43 g/mol
Exact Mass380.18
IUPAC NameN-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-pyrrolidin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide
SMILESCc1cn2cc(NC(=O)N3CCc4c(N5CCCC5)ccnc43)c(F)cc2n1
InChIInChI=1S/C20H21FN6O/c1-13-11-26-12-16(15(21)10-18(26)23-13)24-20(28)27-9-5-14-17(4-6-22-19(14)27)25-7-2-3-8-25/h4,6,10-12H,2-3,5,7-9H2,1H3,(H,24,28)
InChIKeyFSARLDQYYDAWTN-UHFFFAOYSA-N
XLogP3.37
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-pyrrolidin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide?
The IUPAC name of N-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-pyrrolidin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide (CID 177040231) is N-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-pyrrolidin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide.
What is the SMILES notation for N-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-pyrrolidin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide?
The canonical SMILES for N-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-pyrrolidin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide is Cc1cn2cc(NC(=O)N3CCc4c(N5CCCC5)ccnc43)c(F)cc2n1.
What is the InChIKey of N-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-pyrrolidin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide?
The InChIKey is FSARLDQYYDAWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O/c1-13-11-26-12-16(15(21)10-18(26)23-13)24-20(28)27-9-5-14-17(4-6-22-19(14)27)25-7-2-3-8-25/h4,6,10-12H,2-3,5,7-9H2,1H3,(H,24,28).
What are the key properties of N-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-pyrrolidin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide?
N-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-pyrrolidin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide has a molecular weight of 380.43 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-pyrrolidin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide is sourced from PubChem (CID 177040231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).