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

C20H28N6O — CID 91920152

IUPAC2-cyclopentyl-1-[3-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCn1nc(-c2nncn2CC2CC2)c2c1CCN(C(=O)CC1CCCC1)C2
InChIInChI=1S/C20H28N6O/c1-24-17-8-9-25(18(27)10-14-4-2-3-5-14)12-16(17)19(23-24)20-22-21-13-26(20)11-15-6-7-15/h13-15H,2-12H2,1H3
InChIKeyMGFFDKUEPKQDIQ-UHFFFAOYSA-N
MW368.49 g/mol
LogP2.55
Rot. Bonds5

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

2-cyclopentyl-1-[3-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 91920152) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is 2-cyclopentyl-1-[3-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[3-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID91920152
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name2-cyclopentyl-1-[3-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCn1nc(-c2nncn2CC2CC2)c2c1CCN(C(=O)CC1CCCC1)C2
InChIInChI=1S/C20H28N6O/c1-24-17-8-9-25(18(27)10-14-4-2-3-5-14)12-16(17)19(23-24)20-22-21-13-26(20)11-15-6-7-15/h13-15H,2-12H2,1H3
InChIKeyMGFFDKUEPKQDIQ-UHFFFAOYSA-N
XLogP2.55
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[3-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[3-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 91920152) is 2-cyclopentyl-1-[3-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[3-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[3-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is Cn1nc(-c2nncn2CC2CC2)c2c1CCN(C(=O)CC1CCCC1)C2.
What is the InChIKey of 2-cyclopentyl-1-[3-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is MGFFDKUEPKQDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-24-17-8-9-25(18(27)10-14-4-2-3-5-14)12-16(17)19(23-24)20-22-21-13-26(20)11-15-6-7-15/h13-15H,2-12H2,1H3.
What are the key properties of 2-cyclopentyl-1-[3-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
2-cyclopentyl-1-[3-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 368.49 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[3-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 91920152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).