[3-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1-methylindazol-3-yl)methanone

C22H24N8O — CID 91909465

IUPAC[3-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1-methylindazol-3-yl)methanone
SMILESCn1nc(-c2nncn2CC2CC2)c2c1CCN(C(=O)c1nn(C)c3ccccc13)C2
InChIInChI=1S/C22H24N8O/c1-27-17-6-4-3-5-15(17)20(26-27)22(31)29-10-9-18-16(12-29)19(25-28(18)2)21-24-23-13-30(21)11-14-7-8-14/h3-6,13-14H,7-12H2,1-2H3
InChIKeyLBDOQKZTJXBWPD-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.17
Rot. Bonds4

About [3-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1-methylindazol-3-yl)methanone

[3-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1-methylindazol-3-yl)methanone (PubChem CID 91909465) has the molecular formula C22H24N8O and a molecular weight of 416.49 g/mol. Its IUPAC name is [3-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1-methylindazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1-methylindazol-3-yl)methanone
PubChem CID91909465
Molecular FormulaC22H24N8O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC Name[3-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1-methylindazol-3-yl)methanone
SMILESCn1nc(-c2nncn2CC2CC2)c2c1CCN(C(=O)c1nn(C)c3ccccc13)C2
InChIInChI=1S/C22H24N8O/c1-27-17-6-4-3-5-15(17)20(26-27)22(31)29-10-9-18-16(12-29)19(25-28(18)2)21-24-23-13-30(21)11-14-7-8-14/h3-6,13-14H,7-12H2,1-2H3
InChIKeyLBDOQKZTJXBWPD-UHFFFAOYSA-N
XLogP2.17
TPSA86.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [3-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1-methylindazol-3-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1-methylindazol-3-yl)methanone?
The IUPAC name of [3-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1-methylindazol-3-yl)methanone (CID 91909465) is [3-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1-methylindazol-3-yl)methanone.
What is the SMILES notation for [3-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1-methylindazol-3-yl)methanone?
The canonical SMILES for [3-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1-methylindazol-3-yl)methanone is Cn1nc(-c2nncn2CC2CC2)c2c1CCN(C(=O)c1nn(C)c3ccccc13)C2.
What is the InChIKey of [3-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1-methylindazol-3-yl)methanone?
The InChIKey is LBDOQKZTJXBWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O/c1-27-17-6-4-3-5-15(17)20(26-27)22(31)29-10-9-18-16(12-29)19(25-28(18)2)21-24-23-13-30(21)11-14-7-8-14/h3-6,13-14H,7-12H2,1-2H3.
What are the key properties of [3-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1-methylindazol-3-yl)methanone?
[3-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1-methylindazol-3-yl)methanone has a molecular weight of 416.49 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1-methylindazol-3-yl)methanone is sourced from PubChem (CID 91909465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).