oxolan-3-yl 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]carbamate

C25H23F2N9O4 — CID 168774363

IUPACoxolan-3-yl 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]carbamate
SMILESCn1c(Nc2cc3n(n2)CCCC3(F)F)nc2ncc(Oc3ccnc(NC(=O)OC4CCOC4)c3)c(C#N)c21
InChIInChI=1S/C25H23F2N9O4/c1-35-21-16(11-28)17(39-14-3-6-29-19(9-14)32-24(37)40-15-4-8-38-13-15)12-30-22(21)33-23(35)31-20-10-18-25(26,27)5-2-7-36(18)34-20/h3,6,9-10,12,15H,2,4-5,7-8,13H2,1H3,(H,29,32,37)(H,30,31,33,34)
InChIKeyAVHCWFYGRGLOTQ-UHFFFAOYSA-N
MW551.51 g/mol
LogP4.19
Rot. Bonds6

About oxolan-3-yl 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]carbamate

oxolan-3-yl 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]carbamate (PubChem CID 168774363) has the molecular formula C25H23F2N9O4 and a molecular weight of 551.51 g/mol. Its IUPAC name is oxolan-3-yl 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]carbamate.

Molecular Properties

Compound Nameoxolan-3-yl 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]carbamate
PubChem CID168774363
Molecular FormulaC25H23F2N9O4
Molecular Weight551.51 g/mol
Exact Mass551.18
IUPAC Nameoxolan-3-yl 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]carbamate
SMILESCn1c(Nc2cc3n(n2)CCCC3(F)F)nc2ncc(Oc3ccnc(NC(=O)OC4CCOC4)c3)c(C#N)c21
InChIInChI=1S/C25H23F2N9O4/c1-35-21-16(11-28)17(39-14-3-6-29-19(9-14)32-24(37)40-15-4-8-38-13-15)12-30-22(21)33-23(35)31-20-10-18-25(26,27)5-2-7-36(18)34-20/h3,6,9-10,12,15H,2,4-5,7-8,13H2,1H3,(H,29,32,37)(H,30,31,33,34)
InChIKeyAVHCWFYGRGLOTQ-UHFFFAOYSA-N
XLogP4.19
TPSA154.03 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.51
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze oxolan-3-yl 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]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 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]carbamate?
The IUPAC name of oxolan-3-yl 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]carbamate (CID 168774363) is oxolan-3-yl 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]carbamate.
What is the SMILES notation for oxolan-3-yl 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]carbamate?
The canonical SMILES for oxolan-3-yl 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]carbamate is Cn1c(Nc2cc3n(n2)CCCC3(F)F)nc2ncc(Oc3ccnc(NC(=O)OC4CCOC4)c3)c(C#N)c21.
What is the InChIKey of oxolan-3-yl 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]carbamate?
The InChIKey is AVHCWFYGRGLOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N9O4/c1-35-21-16(11-28)17(39-14-3-6-29-19(9-14)32-24(37)40-15-4-8-38-13-15)12-30-22(21)33-23(35)31-20-10-18-25(26,27)5-2-7-36(18)34-20/h3,6,9-10,12,15H,2,4-5,7-8,13H2,1H3,(H,29,32,37)(H,30,31,33,34).
What are the key properties of oxolan-3-yl 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]carbamate?
oxolan-3-yl 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]carbamate has a molecular weight of 551.51 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 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]carbamate is sourced from PubChem (CID 168774363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).