2-methylpropyl 3-[(4-morpholin-4-ylbenzoyl)amino]-5-[[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]carbamoyl]thieno[3,2-c]pyrazole-1-carboxylate

C34H40N6O5S — CID 67031084

IUPAC2-methylpropyl 3-[(4-morpholin-4-ylbenzoyl)amino]-5-[[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]carbamoyl]thieno[3,2-c]pyrazole-1-carboxylate
SMILESCC(C)COC(=O)n1nc(NC(=O)c2ccc(N3CCOCC3)cc2)c2sc(C(=O)N[C@H](CN3CCCC3)c3ccccc3)cc21
InChIInChI=1S/C34H40N6O5S/c1-23(2)22-45-34(43)40-28-20-29(33(42)35-27(21-38-14-6-7-15-38)24-8-4-3-5-9-24)46-30(28)31(37-40)36-32(41)25-10-12-26(13-11-25)39-16-18-44-19-17-39/h3-5,8-13,20,23,27H,6-7,14-19,21-22H2,1-2H3,(H,35,42)(H,36,37,41)/t27-/m1/s1
InChIKeyCSZOZUFLVINGDI-HHHXNRCGSA-N
MW644.80 g/mol
LogP5.39
Rot. Bonds10

About 2-methylpropyl 3-[(4-morpholin-4-ylbenzoyl)amino]-5-[[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]carbamoyl]thieno[3,2-c]pyrazole-1-carboxylate

2-methylpropyl 3-[(4-morpholin-4-ylbenzoyl)amino]-5-[[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]carbamoyl]thieno[3,2-c]pyrazole-1-carboxylate (PubChem CID 67031084) has the molecular formula C34H40N6O5S and a molecular weight of 644.80 g/mol. Its IUPAC name is 2-methylpropyl 3-[(4-morpholin-4-ylbenzoyl)amino]-5-[[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]carbamoyl]thieno[3,2-c]pyrazole-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 3-[(4-morpholin-4-ylbenzoyl)amino]-5-[[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]carbamoyl]thieno[3,2-c]pyrazole-1-carboxylate
PubChem CID67031084
Molecular FormulaC34H40N6O5S
Molecular Weight644.80 g/mol
Exact Mass644.28
IUPAC Name2-methylpropyl 3-[(4-morpholin-4-ylbenzoyl)amino]-5-[[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]carbamoyl]thieno[3,2-c]pyrazole-1-carboxylate
SMILESCC(C)COC(=O)n1nc(NC(=O)c2ccc(N3CCOCC3)cc2)c2sc(C(=O)N[C@H](CN3CCCC3)c3ccccc3)cc21
InChIInChI=1S/C34H40N6O5S/c1-23(2)22-45-34(43)40-28-20-29(33(42)35-27(21-38-14-6-7-15-38)24-8-4-3-5-9-24)46-30(28)31(37-40)36-32(41)25-10-12-26(13-11-25)39-16-18-44-19-17-39/h3-5,8-13,20,23,27H,6-7,14-19,21-22H2,1-2H3,(H,35,42)(H,36,37,41)/t27-/m1/s1
InChIKeyCSZOZUFLVINGDI-HHHXNRCGSA-N
XLogP5.39
TPSA118.03 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.80
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-methylpropyl 3-[(4-morpholin-4-ylbenzoyl)amino]-5-[[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]carbamoyl]thieno[3,2-c]pyrazole-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 3-[(4-morpholin-4-ylbenzoyl)amino]-5-[[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]carbamoyl]thieno[3,2-c]pyrazole-1-carboxylate
CID 67030564
ethyl 3-[(4-morpholin-4-ylbenzoyl)amino]-5-[[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamoyl]thieno[3,2-d]pyrazole-1-carboxylate
CID 66786779
3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-1H-thieno[3,2-c]pyrazole-5-carboxamide
CID 11847344
3-methyl-N-(2-morpholin-4-yl-1-phenylethyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 24505123
methyl 1-[4-(4-methylpiperazin-1-yl)benzoyl]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]thieno[3,2-c]pyrazole-5-carboxylate
CID 68828468
3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-N-[(1R)-1-phenylpropyl]-1H-thieno[3,2-c]pyrazole-5-carboxamide
CID 11846878
4-acetamido-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 18166742
4-methylsulfanyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 9149987
3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 25485403
2-methylpropyl 3-[[4-(1-amino-2-methylpropyl)benzoyl]amino]-5-(2-phenylpropan-2-ylcarbamoyl)thieno[3,2-d]pyrazole-1-carboxylate
CID 67030979
4-(azepan-1-ylsulfonyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 31397272
N-benzhydryl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide
CID 11846703

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 3-[(4-morpholin-4-ylbenzoyl)amino]-5-[[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]carbamoyl]thieno[3,2-c]pyrazole-1-carboxylate?
The IUPAC name of 2-methylpropyl 3-[(4-morpholin-4-ylbenzoyl)amino]-5-[[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]carbamoyl]thieno[3,2-c]pyrazole-1-carboxylate (CID 67031084) is 2-methylpropyl 3-[(4-morpholin-4-ylbenzoyl)amino]-5-[[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]carbamoyl]thieno[3,2-c]pyrazole-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 3-[(4-morpholin-4-ylbenzoyl)amino]-5-[[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]carbamoyl]thieno[3,2-c]pyrazole-1-carboxylate?
The canonical SMILES for 2-methylpropyl 3-[(4-morpholin-4-ylbenzoyl)amino]-5-[[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]carbamoyl]thieno[3,2-c]pyrazole-1-carboxylate is CC(C)COC(=O)n1nc(NC(=O)c2ccc(N3CCOCC3)cc2)c2sc(C(=O)N[C@H](CN3CCCC3)c3ccccc3)cc21.
What is the InChIKey of 2-methylpropyl 3-[(4-morpholin-4-ylbenzoyl)amino]-5-[[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]carbamoyl]thieno[3,2-c]pyrazole-1-carboxylate?
The InChIKey is CSZOZUFLVINGDI-HHHXNRCGSA-N. The full InChI is InChI=1S/C34H40N6O5S/c1-23(2)22-45-34(43)40-28-20-29(33(42)35-27(21-38-14-6-7-15-38)24-8-4-3-5-9-24)46-30(28)31(37-40)36-32(41)25-10-12-26(13-11-25)39-16-18-44-19-17-39/h3-5,8-13,20,23,27H,6-7,14-19,21-22H2,1-2H3,(H,35,42)(H,36,37,41)/t27-/m1/s1.
What are the key properties of 2-methylpropyl 3-[(4-morpholin-4-ylbenzoyl)amino]-5-[[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]carbamoyl]thieno[3,2-c]pyrazole-1-carboxylate?
2-methylpropyl 3-[(4-morpholin-4-ylbenzoyl)amino]-5-[[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]carbamoyl]thieno[3,2-c]pyrazole-1-carboxylate has a molecular weight of 644.80 g/mol, XLogP of 5.39, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 3-[(4-morpholin-4-ylbenzoyl)amino]-5-[[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]carbamoyl]thieno[3,2-c]pyrazole-1-carboxylate is sourced from PubChem (CID 67031084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).