(3R)-N-[4-[7-cyano-2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-hydroxypyrrolidine-1-carboxamide

C25H24F2N10O3 — CID 168774464

IUPAC(3R)-N-[4-[7-cyano-2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-hydroxypyrrolidine-1-carboxamide
SMILESCn1c(Nc2cc3n(n2)CCCC3(F)F)nc2ncc(Oc3ccnc(NC(=O)N4CC[C@@H](O)C4)c3)c(C#N)c21
InChIInChI=1S/C25H24F2N10O3/c1-35-21-16(11-28)17(40-15-3-6-29-19(9-15)32-24(39)36-8-4-14(38)13-36)12-30-22(21)33-23(35)31-20-10-18-25(26,27)5-2-7-37(18)34-20/h3,6,9-10,12,14,38H,2,4-5,7-8,13H2,1H3,(H,29,32,39)(H,30,31,33,34)/t14-/m1/s1
InChIKeyVHRGPRKRSARVHT-CQSZACIVSA-N
MW550.53 g/mol
LogP3.45
Rot. Bonds5

About (3R)-N-[4-[7-cyano-2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-hydroxypyrrolidine-1-carboxamide

(3R)-N-[4-[7-cyano-2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-hydroxypyrrolidine-1-carboxamide (PubChem CID 168774464) has the molecular formula C25H24F2N10O3 and a molecular weight of 550.53 g/mol. Its IUPAC name is (3R)-N-[4-[7-cyano-2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-hydroxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-[7-cyano-2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-hydroxypyrrolidine-1-carboxamide
PubChem CID168774464
Molecular FormulaC25H24F2N10O3
Molecular Weight550.53 g/mol
Exact Mass550.20
IUPAC Name(3R)-N-[4-[7-cyano-2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-hydroxypyrrolidine-1-carboxamide
SMILESCn1c(Nc2cc3n(n2)CCCC3(F)F)nc2ncc(Oc3ccnc(NC(=O)N4CC[C@@H](O)C4)c3)c(C#N)c21
InChIInChI=1S/C25H24F2N10O3/c1-35-21-16(11-28)17(40-15-3-6-29-19(9-15)32-24(39)36-8-4-14(38)13-36)12-30-22(21)33-23(35)31-20-10-18-25(26,27)5-2-7-37(18)34-20/h3,6,9-10,12,14,38H,2,4-5,7-8,13H2,1H3,(H,29,32,39)(H,30,31,33,34)/t14-/m1/s1
InChIKeyVHRGPRKRSARVHT-CQSZACIVSA-N
XLogP3.45
TPSA159.04 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.53
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze (3R)-N-[4-[7-cyano-2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-hydroxypyrrolidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-[7-cyano-2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-hydroxypyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-[4-[7-cyano-2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-hydroxypyrrolidine-1-carboxamide (CID 168774464) is (3R)-N-[4-[7-cyano-2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-hydroxypyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[4-[7-cyano-2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-hydroxypyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-[4-[7-cyano-2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-hydroxypyrrolidine-1-carboxamide is Cn1c(Nc2cc3n(n2)CCCC3(F)F)nc2ncc(Oc3ccnc(NC(=O)N4CC[C@@H](O)C4)c3)c(C#N)c21.
What is the InChIKey of (3R)-N-[4-[7-cyano-2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-hydroxypyrrolidine-1-carboxamide?
The InChIKey is VHRGPRKRSARVHT-CQSZACIVSA-N. The full InChI is InChI=1S/C25H24F2N10O3/c1-35-21-16(11-28)17(40-15-3-6-29-19(9-15)32-24(39)36-8-4-14(38)13-36)12-30-22(21)33-23(35)31-20-10-18-25(26,27)5-2-7-37(18)34-20/h3,6,9-10,12,14,38H,2,4-5,7-8,13H2,1H3,(H,29,32,39)(H,30,31,33,34)/t14-/m1/s1.
What are the key properties of (3R)-N-[4-[7-cyano-2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-hydroxypyrrolidine-1-carboxamide?
(3R)-N-[4-[7-cyano-2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-hydroxypyrrolidine-1-carboxamide has a molecular weight of 550.53 g/mol, XLogP of 3.45, 5 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-[7-cyano-2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-hydroxypyrrolidine-1-carboxamide is sourced from PubChem (CID 168774464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).