ethene;1-[(4-fluorophenyl)methyl]-N-(5-formamido-1,3-thiazol-2-yl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;prop-1-ene

About ethene;1-[(4-fluorophenyl)methyl]-N-(5-formamido-1,3-thiazol-2-yl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;prop-1-ene

ethene;1-[(4-fluorophenyl)methyl]-N-(5-formamido-1,3-thiazol-2-yl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;prop-1-ene (PubChem CID 142326396) has the molecular formula C29H32FN7O3S and a molecular weight of 577.69 g/mol. Its IUPAC name is ethene;1-[(4-fluorophenyl)methyl]-N-(5-formamido-1,3-thiazol-2-yl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;prop-1-ene.

Molecular Properties

Compound Name	ethene;1-[(4-fluorophenyl)methyl]-N-(5-formamido-1,3-thiazol-2-yl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;prop-1-ene
PubChem CID	142326396
Molecular Formula	C29H32FN7O3S
Molecular Weight	577.69 g/mol
Exact Mass	577.23
IUPAC Name	ethene;1-[(4-fluorophenyl)methyl]-N-(5-formamido-1,3-thiazol-2-yl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;prop-1-ene
SMILES	C=C.C=CC.CC1CN(C(=O)c2ccc[nH]2)Cc2c(C(=O)Nc3ncc(NC=O)s3)nn(Cc3ccc(F)cc3)c21
InChI	InChI=1S/C24H22FN7O3S.C3H6.C2H4/c1-14-10-31(23(35)18-3-2-8-26-18)12-17-20(22(34)29-24-27-9-19(36-24)28-13-33)30-32(21(14)17)11-15-4-6-16(25)7-5-15;1-3-2;1-2/h2-9,13-14,26H,10-12H2,1H3,(H,28,33)(H,27,29,34);3H,1H2,2H3;1-2H2
InChIKey	NSHSBYISCOGDBN-UHFFFAOYSA-N
XLogP	5.43
TPSA	125.01 Å²
H-Bond Donors	3
H-Bond Acceptors	7
Rotatable Bonds	7
Heavy Atoms	41
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.69
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of ethene;1-[(4-fluorophenyl)methyl]-N-(5-formamido-1,3-thiazol-2-yl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;prop-1-ene?

The IUPAC name of ethene;1-[(4-fluorophenyl)methyl]-N-(5-formamido-1,3-thiazol-2-yl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;prop-1-ene (CID 142326396) is ethene;1-[(4-fluorophenyl)methyl]-N-(5-formamido-1,3-thiazol-2-yl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;prop-1-ene.

What is the SMILES notation for ethene;1-[(4-fluorophenyl)methyl]-N-(5-formamido-1,3-thiazol-2-yl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;prop-1-ene?

The canonical SMILES for ethene;1-[(4-fluorophenyl)methyl]-N-(5-formamido-1,3-thiazol-2-yl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;prop-1-ene is C=C.C=CC.CC1CN(C(=O)c2ccc[nH]2)Cc2c(C(=O)Nc3ncc(NC=O)s3)nn(Cc3ccc(F)cc3)c21.

What is the InChIKey of ethene;1-[(4-fluorophenyl)methyl]-N-(5-formamido-1,3-thiazol-2-yl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;prop-1-ene?

The InChIKey is NSHSBYISCOGDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7O3S.C3H6.C2H4/c1-14-10-31(23(35)18-3-2-8-26-18)12-17-20(22(34)29-24-27-9-19(36-24)28-13-33)30-32(21(14)17)11-15-4-6-16(25)7-5-15;1-3-2;1-2/h2-9,13-14,26H,10-12H2,1H3,(H,28,33)(H,27,29,34);3H,1H2,2H3;1-2H2.

What are the key properties of ethene;1-[(4-fluorophenyl)methyl]-N-(5-formamido-1,3-thiazol-2-yl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;prop-1-ene?

ethene;1-[(4-fluorophenyl)methyl]-N-(5-formamido-1,3-thiazol-2-yl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;prop-1-ene has a molecular weight of 577.69 g/mol, XLogP of 5.43, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethene;1-[(4-fluorophenyl)methyl]-N-(5-formamido-1,3-thiazol-2-yl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;prop-1-ene is sourced from PubChem (CID 142326396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).