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

C22H20F5N7O — CID 166961644

IUPACN-(4,4-difluoropyrrolidin-3-yl)-6-[7-methoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
SMILESCOc1cc2ncc(-c3cccc(NC4CNCC4(F)F)n3)n2cc1-c1cnn(CC(F)(F)F)c1
InChIInChI=1S/C22H20F5N7O/c1-35-17-5-20-29-7-16(15-3-2-4-19(31-15)32-18-8-28-11-21(18,23)24)34(20)10-14(17)13-6-30-33(9-13)12-22(25,26)27/h2-7,9-10,18,28H,8,11-12H2,1H3,(H,31,32)
InChIKeyOWSBCGNMLGHERL-UHFFFAOYSA-N
MW493.44 g/mol
LogP3.85
Rot. Bonds6

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

N-(4,4-difluoropyrrolidin-3-yl)-6-[7-methoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine (PubChem CID 166961644) has the molecular formula C22H20F5N7O and a molecular weight of 493.44 g/mol. Its IUPAC name is N-(4,4-difluoropyrrolidin-3-yl)-6-[7-methoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-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-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
PubChem CID166961644
Molecular FormulaC22H20F5N7O
Molecular Weight493.44 g/mol
Exact Mass493.16
IUPAC NameN-(4,4-difluoropyrrolidin-3-yl)-6-[7-methoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
SMILESCOc1cc2ncc(-c3cccc(NC4CNCC4(F)F)n3)n2cc1-c1cnn(CC(F)(F)F)c1
InChIInChI=1S/C22H20F5N7O/c1-35-17-5-20-29-7-16(15-3-2-4-19(31-15)32-18-8-28-11-21(18,23)24)34(20)10-14(17)13-6-30-33(9-13)12-22(25,26)27/h2-7,9-10,18,28H,8,11-12H2,1H3,(H,31,32)
InChIKeyOWSBCGNMLGHERL-UHFFFAOYSA-N
XLogP3.85
TPSA81.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.44
LogP ≤ 53.85
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-(2,2,2-trifluoroethyl)pyrazol-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-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine (CID 166961644) is N-(4,4-difluoropyrrolidin-3-yl)-6-[7-methoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-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-(2,2,2-trifluoroethyl)pyrazol-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-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine is COc1cc2ncc(-c3cccc(NC4CNCC4(F)F)n3)n2cc1-c1cnn(CC(F)(F)F)c1.
What is the InChIKey of N-(4,4-difluoropyrrolidin-3-yl)-6-[7-methoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
The InChIKey is OWSBCGNMLGHERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F5N7O/c1-35-17-5-20-29-7-16(15-3-2-4-19(31-15)32-18-8-28-11-21(18,23)24)34(20)10-14(17)13-6-30-33(9-13)12-22(25,26)27/h2-7,9-10,18,28H,8,11-12H2,1H3,(H,31,32).
What are the key properties of N-(4,4-difluoropyrrolidin-3-yl)-6-[7-methoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
N-(4,4-difluoropyrrolidin-3-yl)-6-[7-methoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine has a molecular weight of 493.44 g/mol, XLogP of 3.85, 6 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-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine is sourced from PubChem (CID 166961644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).