1-(cyclopropylmethyl)-N-ethyl-5-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C23H27N5OS — CID 26144467

IUPAC1-(cyclopropylmethyl)-N-ethyl-5-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCNC(=O)c1nn(CC2CC2)c2c1CN(Cc1cnc(-c3ccccc3)s1)CC2
InChIInChI=1S/C23H27N5OS/c1-2-24-22(29)21-19-15-27(11-10-20(19)28(26-21)13-16-8-9-16)14-18-12-25-23(30-18)17-6-4-3-5-7-17/h3-7,12,16H,2,8-11,13-15H2,1H3,(H,24,29)
InChIKeyGKRMTLQOFXDHSO-UHFFFAOYSA-N
MW421.57 g/mol
LogP3.72
Rot. Bonds7

About 1-(cyclopropylmethyl)-N-ethyl-5-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

1-(cyclopropylmethyl)-N-ethyl-5-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26144467) has the molecular formula C23H27N5OS and a molecular weight of 421.57 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-ethyl-5-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-ethyl-5-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID26144467
Molecular FormulaC23H27N5OS
Molecular Weight421.57 g/mol
Exact Mass421.19
IUPAC Name1-(cyclopropylmethyl)-N-ethyl-5-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCNC(=O)c1nn(CC2CC2)c2c1CN(Cc1cnc(-c3ccccc3)s1)CC2
InChIInChI=1S/C23H27N5OS/c1-2-24-22(29)21-19-15-27(11-10-20(19)28(26-21)13-16-8-9-16)14-18-12-25-23(30-18)17-6-4-3-5-7-17/h3-7,12,16H,2,8-11,13-15H2,1H3,(H,24,29)
InChIKeyGKRMTLQOFXDHSO-UHFFFAOYSA-N
XLogP3.72
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-ethyl-5-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-N-ethyl-5-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26144467) is 1-(cyclopropylmethyl)-N-ethyl-5-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-ethyl-5-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-N-ethyl-5-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is CCNC(=O)c1nn(CC2CC2)c2c1CN(Cc1cnc(-c3ccccc3)s1)CC2.
What is the InChIKey of 1-(cyclopropylmethyl)-N-ethyl-5-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is GKRMTLQOFXDHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5OS/c1-2-24-22(29)21-19-15-27(11-10-20(19)28(26-21)13-16-8-9-16)14-18-12-25-23(30-18)17-6-4-3-5-7-17/h3-7,12,16H,2,8-11,13-15H2,1H3,(H,24,29).
What are the key properties of 1-(cyclopropylmethyl)-N-ethyl-5-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
1-(cyclopropylmethyl)-N-ethyl-5-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 421.57 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-ethyl-5-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26144467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).