N-(4,4-difluoropyrrolidin-3-yl)-6-[7-methoxy-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine

C21H21F2N7O — CID 166961646

IUPACN-(4,4-difluoropyrrolidin-3-yl)-6-[7-methoxy-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
SMILESCOc1cc2ncc(-c3cccc(NC4CNCC4(F)F)n3)n2cc1-c1cnn(C)c1
InChIInChI=1S/C21H21F2N7O/c1-29-10-13(7-26-29)14-11-30-16(8-25-20(30)6-17(14)31-2)15-4-3-5-19(27-15)28-18-9-24-12-21(18,22)23/h3-8,10-11,18,24H,9,12H2,1-2H3,(H,27,28)
InChIKeyYZPJEKZOTFSOHR-UHFFFAOYSA-N
MW425.44 g/mol
LogP2.82
Rot. Bonds5

About N-(4,4-difluoropyrrolidin-3-yl)-6-[7-methoxy-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine

N-(4,4-difluoropyrrolidin-3-yl)-6-[7-methoxy-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine (PubChem CID 166961646) has the molecular formula C21H21F2N7O and a molecular weight of 425.44 g/mol. Its IUPAC name is N-(4,4-difluoropyrrolidin-3-yl)-6-[7-methoxy-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-(4,4-difluoropyrrolidin-3-yl)-6-[7-methoxy-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
PubChem CID166961646
Molecular FormulaC21H21F2N7O
Molecular Weight425.44 g/mol
Exact Mass425.18
IUPAC NameN-(4,4-difluoropyrrolidin-3-yl)-6-[7-methoxy-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
SMILESCOc1cc2ncc(-c3cccc(NC4CNCC4(F)F)n3)n2cc1-c1cnn(C)c1
InChIInChI=1S/C21H21F2N7O/c1-29-10-13(7-26-29)14-11-30-16(8-25-20(30)6-17(14)31-2)15-4-3-5-19(27-15)28-18-9-24-12-21(18,22)23/h3-8,10-11,18,24H,9,12H2,1-2H3,(H,27,28)
InChIKeyYZPJEKZOTFSOHR-UHFFFAOYSA-N
XLogP2.82
TPSA81.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluoropyrrolidin-3-yl)-6-[7-methoxy-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
The IUPAC name of N-(4,4-difluoropyrrolidin-3-yl)-6-[7-methoxy-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine (CID 166961646) is N-(4,4-difluoropyrrolidin-3-yl)-6-[7-methoxy-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine.
What is the SMILES notation for N-(4,4-difluoropyrrolidin-3-yl)-6-[7-methoxy-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
The canonical SMILES for N-(4,4-difluoropyrrolidin-3-yl)-6-[7-methoxy-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine is COc1cc2ncc(-c3cccc(NC4CNCC4(F)F)n3)n2cc1-c1cnn(C)c1.
What is the InChIKey of N-(4,4-difluoropyrrolidin-3-yl)-6-[7-methoxy-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
The InChIKey is YZPJEKZOTFSOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N7O/c1-29-10-13(7-26-29)14-11-30-16(8-25-20(30)6-17(14)31-2)15-4-3-5-19(27-15)28-18-9-24-12-21(18,22)23/h3-8,10-11,18,24H,9,12H2,1-2H3,(H,27,28).
What are the key properties of N-(4,4-difluoropyrrolidin-3-yl)-6-[7-methoxy-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
N-(4,4-difluoropyrrolidin-3-yl)-6-[7-methoxy-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine has a molecular weight of 425.44 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluoropyrrolidin-3-yl)-6-[7-methoxy-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine is sourced from PubChem (CID 166961646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).