1-methyl-4-[1-[1-[(3S)-oxolan-3-yl]-4,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]pyrazole-3-carbonitrile

C23H23N7O — CID 121373657

IUPAC1-methyl-4-[1-[1-[(3S)-oxolan-3-yl]-4,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]pyrazole-3-carbonitrile
SMILESCn1cc(-c2ccc3c(c2)CCN3c2nn([C@H]3CCOC3)c3c2CN=CC3)c(C#N)n1
InChIInChI=1S/C23H23N7O/c1-28-13-19(20(11-24)26-28)15-2-3-21-16(10-15)5-8-29(21)23-18-12-25-7-4-22(18)30(27-23)17-6-9-31-14-17/h2-3,7,10,13,17H,4-6,8-9,12,14H2,1H3/t17-/m0/s1
InChIKeyZUGBPHHLENAQFT-KRWDZBQOSA-N
MW413.49 g/mol
LogP2.94
Rot. Bonds3

About 1-methyl-4-[1-[1-[(3S)-oxolan-3-yl]-4,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]pyrazole-3-carbonitrile

1-methyl-4-[1-[1-[(3S)-oxolan-3-yl]-4,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]pyrazole-3-carbonitrile (PubChem CID 121373657) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is 1-methyl-4-[1-[1-[(3S)-oxolan-3-yl]-4,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]pyrazole-3-carbonitrile.

Molecular Properties

Compound Name1-methyl-4-[1-[1-[(3S)-oxolan-3-yl]-4,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]pyrazole-3-carbonitrile
PubChem CID121373657
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC Name1-methyl-4-[1-[1-[(3S)-oxolan-3-yl]-4,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]pyrazole-3-carbonitrile
SMILESCn1cc(-c2ccc3c(c2)CCN3c2nn([C@H]3CCOC3)c3c2CN=CC3)c(C#N)n1
InChIInChI=1S/C23H23N7O/c1-28-13-19(20(11-24)26-28)15-2-3-21-16(10-15)5-8-29(21)23-18-12-25-7-4-22(18)30(27-23)17-6-9-31-14-17/h2-3,7,10,13,17H,4-6,8-9,12,14H2,1H3/t17-/m0/s1
InChIKeyZUGBPHHLENAQFT-KRWDZBQOSA-N
XLogP2.94
TPSA84.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-[1-[(3S)-oxolan-3-yl]-4,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]pyrazole-3-carbonitrile?
The IUPAC name of 1-methyl-4-[1-[1-[(3S)-oxolan-3-yl]-4,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]pyrazole-3-carbonitrile (CID 121373657) is 1-methyl-4-[1-[1-[(3S)-oxolan-3-yl]-4,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]pyrazole-3-carbonitrile.
What is the SMILES notation for 1-methyl-4-[1-[1-[(3S)-oxolan-3-yl]-4,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]pyrazole-3-carbonitrile?
The canonical SMILES for 1-methyl-4-[1-[1-[(3S)-oxolan-3-yl]-4,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]pyrazole-3-carbonitrile is Cn1cc(-c2ccc3c(c2)CCN3c2nn([C@H]3CCOC3)c3c2CN=CC3)c(C#N)n1.
What is the InChIKey of 1-methyl-4-[1-[1-[(3S)-oxolan-3-yl]-4,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]pyrazole-3-carbonitrile?
The InChIKey is ZUGBPHHLENAQFT-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H23N7O/c1-28-13-19(20(11-24)26-28)15-2-3-21-16(10-15)5-8-29(21)23-18-12-25-7-4-22(18)30(27-23)17-6-9-31-14-17/h2-3,7,10,13,17H,4-6,8-9,12,14H2,1H3/t17-/m0/s1.
What are the key properties of 1-methyl-4-[1-[1-[(3S)-oxolan-3-yl]-4,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]pyrazole-3-carbonitrile?
1-methyl-4-[1-[1-[(3S)-oxolan-3-yl]-4,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]pyrazole-3-carbonitrile has a molecular weight of 413.49 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-[1-[(3S)-oxolan-3-yl]-4,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]pyrazole-3-carbonitrile is sourced from PubChem (CID 121373657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).