[1-ethyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone

C22H26N6O2S — CID 26231537

IUPAC[1-ethyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
SMILESCCn1nc(C(=O)N2CCCC2)c2c1CCN(C(=O)c1cc(-c3ccc(C)s3)[nH]n1)C2
InChIInChI=1S/C22H26N6O2S/c1-3-28-18-8-11-27(13-15(18)20(25-28)22(30)26-9-4-5-10-26)21(29)17-12-16(23-24-17)19-7-6-14(2)31-19/h6-7,12H,3-5,8-11,13H2,1-2H3,(H,23,24)
InChIKeyNVQYOYMRWQUONY-UHFFFAOYSA-N
MW438.56 g/mol
LogP3.10
Rot. Bonds4

About [1-ethyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone

[1-ethyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone (PubChem CID 26231537) has the molecular formula C22H26N6O2S and a molecular weight of 438.56 g/mol. Its IUPAC name is [1-ethyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[1-ethyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
PubChem CID26231537
Molecular FormulaC22H26N6O2S
Molecular Weight438.56 g/mol
Exact Mass438.18
IUPAC Name[1-ethyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
SMILESCCn1nc(C(=O)N2CCCC2)c2c1CCN(C(=O)c1cc(-c3ccc(C)s3)[nH]n1)C2
InChIInChI=1S/C22H26N6O2S/c1-3-28-18-8-11-27(13-15(18)20(25-28)22(30)26-9-4-5-10-26)21(29)17-12-16(23-24-17)19-7-6-14(2)31-19/h6-7,12H,3-5,8-11,13H2,1-2H3,(H,23,24)
InChIKeyNVQYOYMRWQUONY-UHFFFAOYSA-N
XLogP3.10
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.56
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-ethyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone?
The IUPAC name of [1-ethyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone (CID 26231537) is [1-ethyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for [1-ethyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone?
The canonical SMILES for [1-ethyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone is CCn1nc(C(=O)N2CCCC2)c2c1CCN(C(=O)c1cc(-c3ccc(C)s3)[nH]n1)C2.
What is the InChIKey of [1-ethyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone?
The InChIKey is NVQYOYMRWQUONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2S/c1-3-28-18-8-11-27(13-15(18)20(25-28)22(30)26-9-4-5-10-26)21(29)17-12-16(23-24-17)19-7-6-14(2)31-19/h6-7,12H,3-5,8-11,13H2,1-2H3,(H,23,24).
What are the key properties of [1-ethyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone?
[1-ethyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone has a molecular weight of 438.56 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 26231537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).