[5-(furan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(2-methylpyrrolidin-1-yl)methanone

C17H22N4O2 — CID 131658852

IUPAC[5-(furan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(2-methylpyrrolidin-1-yl)methanone
SMILESCC1CCCN1C(=O)c1n[nH]c2c1CN(Cc1ccco1)CC2
InChIInChI=1S/C17H22N4O2/c1-12-4-2-7-21(12)17(22)16-14-11-20(8-6-15(14)18-19-16)10-13-5-3-9-23-13/h3,5,9,12H,2,4,6-8,10-11H2,1H3,(H,18,19)
InChIKeyTWKBYNUTLXSUDU-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.19
Rot. Bonds3

About [5-(furan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(2-methylpyrrolidin-1-yl)methanone

[5-(furan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(2-methylpyrrolidin-1-yl)methanone (PubChem CID 131658852) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is [5-(furan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(2-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(furan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(2-methylpyrrolidin-1-yl)methanone
PubChem CID131658852
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name[5-(furan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(2-methylpyrrolidin-1-yl)methanone
SMILESCC1CCCN1C(=O)c1n[nH]c2c1CN(Cc1ccco1)CC2
InChIInChI=1S/C17H22N4O2/c1-12-4-2-7-21(12)17(22)16-14-11-20(8-6-15(14)18-19-16)10-13-5-3-9-23-13/h3,5,9,12H,2,4,6-8,10-11H2,1H3,(H,18,19)
InChIKeyTWKBYNUTLXSUDU-UHFFFAOYSA-N
XLogP2.19
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(furan-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone
CID 97381233
5-(furan-2-ylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 97461886
(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 56875753
1-(furan-2-ylmethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-4-carboxamide
CID 72921377
4-[5-[(5-ethylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one
CID 97461885
[2-(furan-2-yl)azepan-1-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone
CID 91842248
[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[1-(furan-2-ylmethyl)piperidin-3-yl]methanone
CID 45250420
5-(furan-2-ylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
CID 97408304
(5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 19582948
5-[(2-cyclopentyloxyphenyl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 77094507
5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 46318260
7-(furan-2-ylmethyl)-2-sulfanylidene-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 24935893

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(2-methylpyrrolidin-1-yl)methanone?
The IUPAC name of [5-(furan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(2-methylpyrrolidin-1-yl)methanone (CID 131658852) is [5-(furan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(2-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [5-(furan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(2-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for [5-(furan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(2-methylpyrrolidin-1-yl)methanone is CC1CCCN1C(=O)c1n[nH]c2c1CN(Cc1ccco1)CC2.
What is the InChIKey of [5-(furan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(2-methylpyrrolidin-1-yl)methanone?
The InChIKey is TWKBYNUTLXSUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-4-2-7-21(12)17(22)16-14-11-20(8-6-15(14)18-19-16)10-13-5-3-9-23-13/h3,5,9,12H,2,4,6-8,10-11H2,1H3,(H,18,19).
What are the key properties of [5-(furan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(2-methylpyrrolidin-1-yl)methanone?
[5-(furan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(2-methylpyrrolidin-1-yl)methanone has a molecular weight of 314.39 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(2-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 131658852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).