4-[(4R)-8-[(3R,4R)-4-amino-3-hydroxy-3-methylpyrrolidin-1-yl]-4-methyl-3,4,6,10-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile

C25H29N7O — CID 175078998

IUPAC4-[(4R)-8-[(3R,4R)-4-amino-3-hydroxy-3-methylpyrrolidin-1-yl]-4-methyl-3,4,6,10-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
SMILESC[C@@H]1CN(c2ccc(C#N)n3nccc23)CC2=C3CC=C(N4C[C@@H](N)[C@](C)(O)C4)C=C3CN21
InChIInChI=1S/C25H29N7O/c1-16-11-29(21-6-4-19(10-26)32-22(21)7-8-28-32)13-23-20-5-3-18(9-17(20)12-31(16)23)30-14-24(27)25(2,33)15-30/h3-4,6-9,16,24,33H,5,11-15,27H2,1-2H3/t16-,24-,25-/m1/s1
InChIKeyWBBSAJJHQKIQMI-YSTXUQMKSA-N
MW443.56 g/mol
LogP1.59
Rot. Bonds2

About 4-[(4R)-8-[(3R,4R)-4-amino-3-hydroxy-3-methylpyrrolidin-1-yl]-4-methyl-3,4,6,10-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile

4-[(4R)-8-[(3R,4R)-4-amino-3-hydroxy-3-methylpyrrolidin-1-yl]-4-methyl-3,4,6,10-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile (PubChem CID 175078998) has the molecular formula C25H29N7O and a molecular weight of 443.56 g/mol. Its IUPAC name is 4-[(4R)-8-[(3R,4R)-4-amino-3-hydroxy-3-methylpyrrolidin-1-yl]-4-methyl-3,4,6,10-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile.

Molecular Properties

Compound Name4-[(4R)-8-[(3R,4R)-4-amino-3-hydroxy-3-methylpyrrolidin-1-yl]-4-methyl-3,4,6,10-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
PubChem CID175078998
Molecular FormulaC25H29N7O
Molecular Weight443.56 g/mol
Exact Mass443.24
IUPAC Name4-[(4R)-8-[(3R,4R)-4-amino-3-hydroxy-3-methylpyrrolidin-1-yl]-4-methyl-3,4,6,10-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
SMILESC[C@@H]1CN(c2ccc(C#N)n3nccc23)CC2=C3CC=C(N4C[C@@H](N)[C@](C)(O)C4)C=C3CN21
InChIInChI=1S/C25H29N7O/c1-16-11-29(21-6-4-19(10-26)32-22(21)7-8-28-32)13-23-20-5-3-18(9-17(20)12-31(16)23)30-14-24(27)25(2,33)15-30/h3-4,6-9,16,24,33H,5,11-15,27H2,1-2H3/t16-,24-,25-/m1/s1
InChIKeyWBBSAJJHQKIQMI-YSTXUQMKSA-N
XLogP1.59
TPSA97.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.56
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

5-[(4R)-8-[(3S,4S)-4-amino-3-hydroxy-3-methylpyrrolidin-1-yl]-9-fluoro-4-methyl-3,4,6,10-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]quinoline-8-carbonitrile
CID 175085157
8-[(4R)-4-methyl-8-piperazin-1-yl-3,4,6,10-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]quinoxaline-5-carbonitrile
CID 175085160
5-[(4R)-8-[(6R)-6-hydroxy-1,4-diazepan-1-yl]-4-methyl-3,4,6,10-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]quinoline-8-carbonitrile
CID 175084388
4-(4-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridine-7-carbonitrile
CID 155206125
2-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxylic acid;2,2-dimethylbutane
CID 155708037
5-[(4R)-8-[2-(dimethylamino)ethylamino]-4-methyl-3,4,6,10-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]quinoline-8-carbonitrile
CID 175078962
4-[8-(4-amino-3-methoxypiperidin-1-yl)-4-methyl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
CID 146271551
(6R)-4-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-6-methyl-N-(5-methyl-5-azaspiro[2.4]heptan-7-yl)morpholine-2-carboxamide
CID 162481512
5-[(4R)-8-[[(3S,4R)-4-fluoropyrrolidin-3-yl]amino]-4-methyl-3,4,6,10-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]quinoline-8-carbonitrile
CID 175086689
5-[(4R)-8-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-4-methyl-3,4,6,10-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]quinoline-8-carbonitrile
CID 175082150
4-(4-methyl-8-pyrrolidin-1-yl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)pyrazolo[1,5-a]pyridine-7-carbonitrile
CID 146271665
4-[(3S,5S)-3-[(3S)-3-amino-2-oxobutyl]-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
CID 163463321

Frequently Asked Questions

What is the IUPAC name of 4-[(4R)-8-[(3R,4R)-4-amino-3-hydroxy-3-methylpyrrolidin-1-yl]-4-methyl-3,4,6,10-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?
The IUPAC name of 4-[(4R)-8-[(3R,4R)-4-amino-3-hydroxy-3-methylpyrrolidin-1-yl]-4-methyl-3,4,6,10-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile (CID 175078998) is 4-[(4R)-8-[(3R,4R)-4-amino-3-hydroxy-3-methylpyrrolidin-1-yl]-4-methyl-3,4,6,10-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile.
What is the SMILES notation for 4-[(4R)-8-[(3R,4R)-4-amino-3-hydroxy-3-methylpyrrolidin-1-yl]-4-methyl-3,4,6,10-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?
The canonical SMILES for 4-[(4R)-8-[(3R,4R)-4-amino-3-hydroxy-3-methylpyrrolidin-1-yl]-4-methyl-3,4,6,10-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile is C[C@@H]1CN(c2ccc(C#N)n3nccc23)CC2=C3CC=C(N4C[C@@H](N)[C@](C)(O)C4)C=C3CN21.
What is the InChIKey of 4-[(4R)-8-[(3R,4R)-4-amino-3-hydroxy-3-methylpyrrolidin-1-yl]-4-methyl-3,4,6,10-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?
The InChIKey is WBBSAJJHQKIQMI-YSTXUQMKSA-N. The full InChI is InChI=1S/C25H29N7O/c1-16-11-29(21-6-4-19(10-26)32-22(21)7-8-28-32)13-23-20-5-3-18(9-17(20)12-31(16)23)30-14-24(27)25(2,33)15-30/h3-4,6-9,16,24,33H,5,11-15,27H2,1-2H3/t16-,24-,25-/m1/s1.
What are the key properties of 4-[(4R)-8-[(3R,4R)-4-amino-3-hydroxy-3-methylpyrrolidin-1-yl]-4-methyl-3,4,6,10-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?
4-[(4R)-8-[(3R,4R)-4-amino-3-hydroxy-3-methylpyrrolidin-1-yl]-4-methyl-3,4,6,10-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile has a molecular weight of 443.56 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4R)-8-[(3R,4R)-4-amino-3-hydroxy-3-methylpyrrolidin-1-yl]-4-methyl-3,4,6,10-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile is sourced from PubChem (CID 175078998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).