6-ethoxy-4-[6-[(1R,5S)-6-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C27H26FN7O — CID 134435906

IUPAC6-ethoxy-4-[6-[(1R,5S)-6-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3C[C@H]4C[C@@H](C3)C4Nc3nc(C)ccc3F)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C27H26FN7O/c1-3-36-21-9-22(26-20(10-29)12-31-35(26)15-21)17-5-7-24(30-11-17)34-13-18-8-19(14-34)25(18)33-27-23(28)6-4-16(2)32-27/h4-7,9,11-12,15,18-19,25H,3,8,13-14H2,1-2H3,(H,32,33)/t18-,19+,25?
InChIKeyPIWMPQDASLWTHG-OOEJVQDLSA-N
MW483.55 g/mol
LogP4.45
Rot. Bonds6

About 6-ethoxy-4-[6-[(1R,5S)-6-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-ethoxy-4-[6-[(1R,5S)-6-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134435906) has the molecular formula C27H26FN7O and a molecular weight of 483.55 g/mol. Its IUPAC name is 6-ethoxy-4-[6-[(1R,5S)-6-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-ethoxy-4-[6-[(1R,5S)-6-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134435906
Molecular FormulaC27H26FN7O
Molecular Weight483.55 g/mol
Exact Mass483.22
IUPAC Name6-ethoxy-4-[6-[(1R,5S)-6-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3C[C@H]4C[C@@H](C3)C4Nc3nc(C)ccc3F)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C27H26FN7O/c1-3-36-21-9-22(26-20(10-29)12-31-35(26)15-21)17-5-7-24(30-11-17)34-13-18-8-19(14-34)25(18)33-27-23(28)6-4-16(2)32-27/h4-7,9,11-12,15,18-19,25H,3,8,13-14H2,1-2H3,(H,32,33)/t18-,19+,25?
InChIKeyPIWMPQDASLWTHG-OOEJVQDLSA-N
XLogP4.45
TPSA91.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-ethoxy-4-[6-[(1R,5S)-6-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Related Compounds

CID 134436906
CID 134436906
CID 89914582
CID 89914582
CID 134437053
CID 134437053
CID 162644720
CID 162644720
CID 162648867
CID 162648867
CID 162667387
CID 162667387
CID 134435575
CID 134435575
CID 134436703
CID 134436703
CID 89487388
CID 89487388
CID 89488611
CID 89488611
CID 118203883
CID 118203883
CID 124200174
CID 124200174

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-[6-[(1R,5S)-6-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-ethoxy-4-[6-[(1R,5S)-6-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134435906) is 6-ethoxy-4-[6-[(1R,5S)-6-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-ethoxy-4-[6-[(1R,5S)-6-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-ethoxy-4-[6-[(1R,5S)-6-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CCOc1cc(-c2ccc(N3C[C@H]4C[C@@H](C3)C4Nc3nc(C)ccc3F)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 6-ethoxy-4-[6-[(1R,5S)-6-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is PIWMPQDASLWTHG-OOEJVQDLSA-N. The full InChI is InChI=1S/C27H26FN7O/c1-3-36-21-9-22(26-20(10-29)12-31-35(26)15-21)17-5-7-24(30-11-17)34-13-18-8-19(14-34)25(18)33-27-23(28)6-4-16(2)32-27/h4-7,9,11-12,15,18-19,25H,3,8,13-14H2,1-2H3,(H,32,33)/t18-,19+,25?.
What are the key properties of 6-ethoxy-4-[6-[(1R,5S)-6-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-ethoxy-4-[6-[(1R,5S)-6-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 483.55 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-[6-[(1R,5S)-6-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134435906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).