propyl 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-5-(2-phenylpropan-2-ylcarbamoyl)furo[3,2-c]pyrazole-1-carboxylate

C32H32N6O6 — CID 67030550

IUPACpropyl 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-5-(2-phenylpropan-2-ylcarbamoyl)furo[3,2-c]pyrazole-1-carboxylate
SMILESCCCOC(=O)n1nc(NC(=O)c2ccccc2NC(=O)c2cccn2C)c2oc(C(=O)NC(C)(C)c3ccccc3)cc21
InChIInChI=1S/C32H32N6O6/c1-5-18-43-31(42)38-24-19-25(30(41)35-32(2,3)20-12-7-6-8-13-20)44-26(24)27(36-38)34-28(39)21-14-9-10-15-22(21)33-29(40)23-16-11-17-37(23)4/h6-17,19H,5,18H2,1-4H3,(H,33,40)(H,35,41)(H,34,36,39)
InChIKeyDPJGBZPOAMZUNW-UHFFFAOYSA-N
MW596.64 g/mol
LogP5.53
Rot. Bonds9

About propyl 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-5-(2-phenylpropan-2-ylcarbamoyl)furo[3,2-c]pyrazole-1-carboxylate

propyl 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-5-(2-phenylpropan-2-ylcarbamoyl)furo[3,2-c]pyrazole-1-carboxylate (PubChem CID 67030550) has the molecular formula C32H32N6O6 and a molecular weight of 596.64 g/mol. Its IUPAC name is propyl 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-5-(2-phenylpropan-2-ylcarbamoyl)furo[3,2-c]pyrazole-1-carboxylate.

Molecular Properties

Compound Namepropyl 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-5-(2-phenylpropan-2-ylcarbamoyl)furo[3,2-c]pyrazole-1-carboxylate
PubChem CID67030550
Molecular FormulaC32H32N6O6
Molecular Weight596.64 g/mol
Exact Mass596.24
IUPAC Namepropyl 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-5-(2-phenylpropan-2-ylcarbamoyl)furo[3,2-c]pyrazole-1-carboxylate
SMILESCCCOC(=O)n1nc(NC(=O)c2ccccc2NC(=O)c2cccn2C)c2oc(C(=O)NC(C)(C)c3ccccc3)cc21
InChIInChI=1S/C32H32N6O6/c1-5-18-43-31(42)38-24-19-25(30(41)35-32(2,3)20-12-7-6-8-13-20)44-26(24)27(36-38)34-28(39)21-14-9-10-15-22(21)33-29(40)23-16-11-17-37(23)4/h6-17,19H,5,18H2,1-4H3,(H,33,40)(H,35,41)(H,34,36,39)
InChIKeyDPJGBZPOAMZUNW-UHFFFAOYSA-N
XLogP5.53
TPSA149.49 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.64
LogP ≤ 55.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze propyl 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-5-(2-phenylpropan-2-ylcarbamoyl)furo[3,2-c]pyrazole-1-carboxylate with MolForge

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Related Compounds

pentyl 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-5-(2-phenylpropan-2-ylcarbamoyl)furo[3,2-c]pyrazole-1-carboxylate
CID 67030763
benzyl 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-5-(2-phenylpropan-2-ylcarbamoyl)furo[3,2-c]pyrazole-1-carboxylate
CID 67031005
methyl 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-5-(2-phenylpropan-2-ylcarbamoyl)furo[3,2-c]pyrazole-1-carboxylate
CID 67030586
hexyl 3-[[2-[(2-methylpyrazole-3-carbonyl)amino]benzoyl]amino]-5-(2-phenylpropan-2-ylcarbamoyl)furo[3,2-c]pyrazole-1-carboxylate
CID 67030446
1-O-ethyl 5-O-propyl 3-[(2-nitrosobenzoyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylate
CID 88562022
tert-butyl 5-(2-phenylpropan-2-ylcarbamoyl)-3-[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]furo[3,2-c]pyrazole-1-carboxylate
CID 67030965
2-methoxyethyl 5-(2-phenylpropan-2-ylcarbamoyl)-3-[[2-(1H-pyrrole-3-carbonylamino)benzoyl]amino]thieno[3,2-d]pyrazole-1-carboxylate
CID 67030847
ethyl 3-[[2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]benzoyl]amino]-5-(2-phenylpropan-2-ylcarbamoyl)thieno[3,2-d]pyrazole-1-carboxylate
CID 67158599
propyl 3-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-5-(2-phenylpropan-2-ylcarbamoyl)thieno[3,2-d]pyrazole-1-carboxylate
CID 67030938
[2-[[1-ethoxycarbonyl-5-(2-phenylpropan-2-ylcarbamoyl)thieno[3,2-d]pyrazol-3-yl]carbamoyl]phenyl]-hydroxyazanium
CID 143395536
3-[(2-fluorobenzoyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylic acid
CID 90955262
3-[[2-[(2-methylpyrazole-3-carbonyl)amino]benzoyl]amino]-N-(2-phenylpropan-2-yl)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67159226

Frequently Asked Questions

What is the IUPAC name of propyl 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-5-(2-phenylpropan-2-ylcarbamoyl)furo[3,2-c]pyrazole-1-carboxylate?
The IUPAC name of propyl 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-5-(2-phenylpropan-2-ylcarbamoyl)furo[3,2-c]pyrazole-1-carboxylate (CID 67030550) is propyl 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-5-(2-phenylpropan-2-ylcarbamoyl)furo[3,2-c]pyrazole-1-carboxylate.
What is the SMILES notation for propyl 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-5-(2-phenylpropan-2-ylcarbamoyl)furo[3,2-c]pyrazole-1-carboxylate?
The canonical SMILES for propyl 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-5-(2-phenylpropan-2-ylcarbamoyl)furo[3,2-c]pyrazole-1-carboxylate is CCCOC(=O)n1nc(NC(=O)c2ccccc2NC(=O)c2cccn2C)c2oc(C(=O)NC(C)(C)c3ccccc3)cc21.
What is the InChIKey of propyl 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-5-(2-phenylpropan-2-ylcarbamoyl)furo[3,2-c]pyrazole-1-carboxylate?
The InChIKey is DPJGBZPOAMZUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N6O6/c1-5-18-43-31(42)38-24-19-25(30(41)35-32(2,3)20-12-7-6-8-13-20)44-26(24)27(36-38)34-28(39)21-14-9-10-15-22(21)33-29(40)23-16-11-17-37(23)4/h6-17,19H,5,18H2,1-4H3,(H,33,40)(H,35,41)(H,34,36,39).
What are the key properties of propyl 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-5-(2-phenylpropan-2-ylcarbamoyl)furo[3,2-c]pyrazole-1-carboxylate?
propyl 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-5-(2-phenylpropan-2-ylcarbamoyl)furo[3,2-c]pyrazole-1-carboxylate has a molecular weight of 596.64 g/mol, XLogP of 5.53, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-5-(2-phenylpropan-2-ylcarbamoyl)furo[3,2-c]pyrazole-1-carboxylate is sourced from PubChem (CID 67030550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).