1-(cyclopropylmethyl)-5-(3-fluoro-4-methoxybenzoyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C23H24FN5O3S — CID 26138393

IUPAC1-(cyclopropylmethyl)-5-(3-fluoro-4-methoxybenzoyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)N2CCc3c(c(C(=O)NCc4nccs4)nn3CC3CC3)C2)cc1F
InChIInChI=1S/C23H24FN5O3S/c1-32-19-5-4-15(10-17(19)24)23(31)28-8-6-18-16(13-28)21(27-29(18)12-14-2-3-14)22(30)26-11-20-25-7-9-33-20/h4-5,7,9-10,14H,2-3,6,8,11-13H2,1H3,(H,26,30)
InChIKeyKKCWCFMUHQTHIS-UHFFFAOYSA-N
MW469.54 g/mol
LogP3.03
Rot. Bonds7

About 1-(cyclopropylmethyl)-5-(3-fluoro-4-methoxybenzoyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

1-(cyclopropylmethyl)-5-(3-fluoro-4-methoxybenzoyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26138393) has the molecular formula C23H24FN5O3S and a molecular weight of 469.54 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-(3-fluoro-4-methoxybenzoyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-(3-fluoro-4-methoxybenzoyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID26138393
Molecular FormulaC23H24FN5O3S
Molecular Weight469.54 g/mol
Exact Mass469.16
IUPAC Name1-(cyclopropylmethyl)-5-(3-fluoro-4-methoxybenzoyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)N2CCc3c(c(C(=O)NCc4nccs4)nn3CC3CC3)C2)cc1F
InChIInChI=1S/C23H24FN5O3S/c1-32-19-5-4-15(10-17(19)24)23(31)28-8-6-18-16(13-28)21(27-29(18)12-14-2-3-14)22(30)26-11-20-25-7-9-33-20/h4-5,7,9-10,14H,2-3,6,8,11-13H2,1H3,(H,26,30)
InChIKeyKKCWCFMUHQTHIS-UHFFFAOYSA-N
XLogP3.03
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-(3-fluoro-4-methoxybenzoyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-5-(3-fluoro-4-methoxybenzoyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26138393) is 1-(cyclopropylmethyl)-5-(3-fluoro-4-methoxybenzoyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-(3-fluoro-4-methoxybenzoyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-5-(3-fluoro-4-methoxybenzoyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is COc1ccc(C(=O)N2CCc3c(c(C(=O)NCc4nccs4)nn3CC3CC3)C2)cc1F.
What is the InChIKey of 1-(cyclopropylmethyl)-5-(3-fluoro-4-methoxybenzoyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is KKCWCFMUHQTHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O3S/c1-32-19-5-4-15(10-17(19)24)23(31)28-8-6-18-16(13-28)21(27-29(18)12-14-2-3-14)22(30)26-11-20-25-7-9-33-20/h4-5,7,9-10,14H,2-3,6,8,11-13H2,1H3,(H,26,30).
What are the key properties of 1-(cyclopropylmethyl)-5-(3-fluoro-4-methoxybenzoyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
1-(cyclopropylmethyl)-5-(3-fluoro-4-methoxybenzoyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 469.54 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-(3-fluoro-4-methoxybenzoyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26138393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).