4-[(4R)-8-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-9-chloro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile

C24H24ClFN8O — CID 167483328

IUPAC4-[(4R)-8-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-9-chloro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile
SMILESCO[C@@H]1CN(c2cc3nn4c(c3cc2Cl)CN(c2ccc(C#N)n3ncc(F)c23)C[C@H]4C)C[C@@H]1N
InChIInChI=1S/C24H24ClFN8O/c1-13-9-31(20-4-3-14(7-27)34-24(20)17(26)8-29-34)11-22-15-5-16(25)21(6-19(15)30-33(13)22)32-10-18(28)23(12-32)35-2/h3-6,8,13,18,23H,9-12,28H2,1-2H3/t13-,18+,23-/m1/s1
InChIKeyDPYRUBFFVLQCBX-ZGJHTFNLSA-N
MW494.96 g/mol
LogP3.09
Rot. Bonds3

About 4-[(4R)-8-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-9-chloro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile

4-[(4R)-8-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-9-chloro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile (PubChem CID 167483328) has the molecular formula C24H24ClFN8O and a molecular weight of 494.96 g/mol. Its IUPAC name is 4-[(4R)-8-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-9-chloro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile.

Molecular Properties

Compound Name4-[(4R)-8-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-9-chloro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile
PubChem CID167483328
Molecular FormulaC24H24ClFN8O
Molecular Weight494.96 g/mol
Exact Mass494.17
IUPAC Name4-[(4R)-8-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-9-chloro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile
SMILESCO[C@@H]1CN(c2cc3nn4c(c3cc2Cl)CN(c2ccc(C#N)n3ncc(F)c23)C[C@H]4C)C[C@@H]1N
InChIInChI=1S/C24H24ClFN8O/c1-13-9-31(20-4-3-14(7-27)34-24(20)17(26)8-29-34)11-22-15-5-16(25)21(6-19(15)30-33(13)22)32-10-18(28)23(12-32)35-2/h3-6,8,13,18,23H,9-12,28H2,1-2H3/t13-,18+,23-/m1/s1
InChIKeyDPYRUBFFVLQCBX-ZGJHTFNLSA-N
XLogP3.09
TPSA100.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.96
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[(4R)-8-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-9-chloro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile with MolForge

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Related Compounds

3-fluoro-4-[(4R)-9-fluoro-4-methyl-8-piperidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
CID 167483379
3-fluoro-4-[(4R)-8-(4-fluoropyrrolidin-3-yl)-4-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
CID 167483360
2-[4-[(4R)-2-(7-cyano-3-fluoropyrazolo[1,5-a]pyridin-4-yl)-4-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-8-yl]piperidin-1-yl]acetamide
CID 167483358
3-fluoro-4-[(6R)-6-methyl-12-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4,7,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
CID 171830081
4-[(6R,12S)-6,12-dimethyl-11-(1H-pyrazol-4-ylmethyl)-4,7,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-4-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile
CID 171830093
4-[(6R,12S)-11-[(2S)-2,3-dihydroxypropyl]-6,12-dimethyl-4,7,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-4-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile
CID 171830108
4-[(6R,12S)-6,12-dimethyl-11-(oxolan-3-yl)-4,7,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-4-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile
CID 171830180
2-[(6R,10S,12R)-4-(7-cyano-3-fluoropyrazolo[1,5-a]pyridin-4-yl)-6,10,12-trimethyl-4,7,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-11-yl]-N,N-dimethylacetamide
CID 171830154
3-fluoro-4-[(6R)-6-methyl-11-(morpholin-4-ylmethyl)-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
CID 171830145
4-[(6R,12S)-6,12-dimethyl-11-(2-morpholin-4-ylacetyl)-4,7,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-4-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile
CID 171830162
4-[8-[2-[6-(3-amino-4-fluoropyrrolidin-1-yl)-3-pyridinyl]ethyl]-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile
CID 155206143
4-[(6R,12S)-4-(7-cyano-3-fluoropyrazolo[1,5-a]pyridin-4-yl)-6-methyl-4,7,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-12-yl]-2,2,3-trimethylbutanoic acid
CID 171830199

Frequently Asked Questions

What is the IUPAC name of 4-[(4R)-8-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-9-chloro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile?
The IUPAC name of 4-[(4R)-8-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-9-chloro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile (CID 167483328) is 4-[(4R)-8-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-9-chloro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile.
What is the SMILES notation for 4-[(4R)-8-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-9-chloro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile?
The canonical SMILES for 4-[(4R)-8-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-9-chloro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile is CO[C@@H]1CN(c2cc3nn4c(c3cc2Cl)CN(c2ccc(C#N)n3ncc(F)c23)C[C@H]4C)C[C@@H]1N.
What is the InChIKey of 4-[(4R)-8-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-9-chloro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile?
The InChIKey is DPYRUBFFVLQCBX-ZGJHTFNLSA-N. The full InChI is InChI=1S/C24H24ClFN8O/c1-13-9-31(20-4-3-14(7-27)34-24(20)17(26)8-29-34)11-22-15-5-16(25)21(6-19(15)30-33(13)22)32-10-18(28)23(12-32)35-2/h3-6,8,13,18,23H,9-12,28H2,1-2H3/t13-,18+,23-/m1/s1.
What are the key properties of 4-[(4R)-8-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-9-chloro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile?
4-[(4R)-8-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-9-chloro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile has a molecular weight of 494.96 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4R)-8-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-9-chloro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile is sourced from PubChem (CID 167483328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).