[1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone

C17H23N5O — CID 97405019

IUPAC[1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone
SMILESCn1nc(CN2CCCC2)c2c1CN(C(=O)c1ccc[nH]1)CC2
InChIInChI=1S/C17H23N5O/c1-20-16-12-22(17(23)14-5-4-7-18-14)10-6-13(16)15(19-20)11-21-8-2-3-9-21/h4-5,7,18H,2-3,6,8-12H2,1H3
InChIKeyQPCPBAONFGHBKS-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.54
Rot. Bonds3

About [1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone

[1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone (PubChem CID 97405019) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is [1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone
PubChem CID97405019
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name[1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone
SMILESCn1nc(CN2CCCC2)c2c1CN(C(=O)c1ccc[nH]1)CC2
InChIInChI=1S/C17H23N5O/c1-20-16-12-22(17(23)14-5-4-7-18-14)10-6-13(16)15(19-20)11-21-8-2-3-9-21/h4-5,7,18H,2-3,6,8-12H2,1H3
InChIKeyQPCPBAONFGHBKS-UHFFFAOYSA-N
XLogP1.54
TPSA57.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone?
The IUPAC name of [1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone (CID 97405019) is [1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for [1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone is Cn1nc(CN2CCCC2)c2c1CN(C(=O)c1ccc[nH]1)CC2.
What is the InChIKey of [1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone?
The InChIKey is QPCPBAONFGHBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-20-16-12-22(17(23)14-5-4-7-18-14)10-6-13(16)15(19-20)11-21-8-2-3-9-21/h4-5,7,18H,2-3,6,8-12H2,1H3.
What are the key properties of [1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone?
[1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone has a molecular weight of 313.40 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 97405019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).