3-fluoro-4-[(4R)-4-methyl-8-[1-(oxan-4-yl)piperidin-4-yl]-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile

C29H32FN7O — CID 167483310

IUPAC3-fluoro-4-[(4R)-4-methyl-8-[1-(oxan-4-yl)piperidin-4-yl]-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
SMILESC[C@@H]1CN(c2ccc(C#N)n3ncc(F)c23)Cc2c3ccc(C4CCN(C5CCOCC5)CC4)cc3nn21
InChIInChI=1S/C29H32FN7O/c1-19-17-35(27-5-3-23(15-31)37-29(27)25(30)16-32-37)18-28-24-4-2-21(14-26(24)33-36(19)28)20-6-10-34(11-7-20)22-8-12-38-13-9-22/h2-5,14,16,19-20,22H,6-13,17-18H2,1H3/t19-/m1/s1
InChIKeyQCPLKYIPUYZGDE-LJQANCHMSA-N
MW513.62 g/mol
LogP4.63
Rot. Bonds3

About 3-fluoro-4-[(4R)-4-methyl-8-[1-(oxan-4-yl)piperidin-4-yl]-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile

3-fluoro-4-[(4R)-4-methyl-8-[1-(oxan-4-yl)piperidin-4-yl]-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile (PubChem CID 167483310) has the molecular formula C29H32FN7O and a molecular weight of 513.62 g/mol. Its IUPAC name is 3-fluoro-4-[(4R)-4-methyl-8-[1-(oxan-4-yl)piperidin-4-yl]-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile.

Molecular Properties

Compound Name3-fluoro-4-[(4R)-4-methyl-8-[1-(oxan-4-yl)piperidin-4-yl]-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
PubChem CID167483310
Molecular FormulaC29H32FN7O
Molecular Weight513.62 g/mol
Exact Mass513.27
IUPAC Name3-fluoro-4-[(4R)-4-methyl-8-[1-(oxan-4-yl)piperidin-4-yl]-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
SMILESC[C@@H]1CN(c2ccc(C#N)n3ncc(F)c23)Cc2c3ccc(C4CCN(C5CCOCC5)CC4)cc3nn21
InChIInChI=1S/C29H32FN7O/c1-19-17-35(27-5-3-23(15-31)37-29(27)25(30)16-32-37)18-28-24-4-2-21(14-26(24)33-36(19)28)20-6-10-34(11-7-20)22-8-12-38-13-9-22/h2-5,14,16,19-20,22H,6-13,17-18H2,1H3/t19-/m1/s1
InChIKeyQCPLKYIPUYZGDE-LJQANCHMSA-N
XLogP4.63
TPSA74.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.62
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-fluoro-4-[(4R)-4-methyl-8-[1-(oxan-4-yl)piperidin-4-yl]-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile with MolForge

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Related Compounds

US9725449, Example 29
CID 122686590
US10683290, Example 25
CID 134485952
US10174024, Example 65
CID 138374969
3-(3,5-dimethyltriazol-4-yl)-5-[(S)-oxan-4-yl(phenyl)methyl]-7-propan-2-ylpyrido[3,2-b]indole
CID 168273940
2-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[(S)-oxan-4-yl(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl]propan-2-amine
CID 118196386
5-[6-fluoro-7-(2-fluoropropan-2-yl)-5-[(S)-oxan-4-yl(phenyl)methyl]-5H-pyrido[3,2-b]indol-3-yl]-1,4-dimethyl-1H-1,2,3-triazole
CID 118196482
5-[7-(2-fluoropropan-2-yl)-5-[(S)-oxan-4-yl(phenyl)methyl]-5H-pyrido[3,2-b]indol-3-yl]-1,4-dimethyl-1H-1,2,3-triazole
CID 118197415
US9725449, Example 3
CID 122686457
US11168082, Cpd. No. 51
CID 135381331
US10174024, Example 27
CID 138374947
US10174024, Example 43
CID 138374956
US11168082, Cpd. No. 90
CID 142474856

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(4R)-4-methyl-8-[1-(oxan-4-yl)piperidin-4-yl]-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?
The IUPAC name of 3-fluoro-4-[(4R)-4-methyl-8-[1-(oxan-4-yl)piperidin-4-yl]-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile (CID 167483310) is 3-fluoro-4-[(4R)-4-methyl-8-[1-(oxan-4-yl)piperidin-4-yl]-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile.
What is the SMILES notation for 3-fluoro-4-[(4R)-4-methyl-8-[1-(oxan-4-yl)piperidin-4-yl]-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?
The canonical SMILES for 3-fluoro-4-[(4R)-4-methyl-8-[1-(oxan-4-yl)piperidin-4-yl]-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile is C[C@@H]1CN(c2ccc(C#N)n3ncc(F)c23)Cc2c3ccc(C4CCN(C5CCOCC5)CC4)cc3nn21.
What is the InChIKey of 3-fluoro-4-[(4R)-4-methyl-8-[1-(oxan-4-yl)piperidin-4-yl]-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?
The InChIKey is QCPLKYIPUYZGDE-LJQANCHMSA-N. The full InChI is InChI=1S/C29H32FN7O/c1-19-17-35(27-5-3-23(15-31)37-29(27)25(30)16-32-37)18-28-24-4-2-21(14-26(24)33-36(19)28)20-6-10-34(11-7-20)22-8-12-38-13-9-22/h2-5,14,16,19-20,22H,6-13,17-18H2,1H3/t19-/m1/s1.
What are the key properties of 3-fluoro-4-[(4R)-4-methyl-8-[1-(oxan-4-yl)piperidin-4-yl]-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?
3-fluoro-4-[(4R)-4-methyl-8-[1-(oxan-4-yl)piperidin-4-yl]-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile has a molecular weight of 513.62 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(4R)-4-methyl-8-[1-(oxan-4-yl)piperidin-4-yl]-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile is sourced from PubChem (CID 167483310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).