1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(morpholine-4-carbonyl)thieno[3,2-c]pyrazole-3-carboxamide

C30H27ClF2N6O5S — CID 126617576

IUPAC1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(morpholine-4-carbonyl)thieno[3,2-c]pyrazole-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(-c3ccccc3Cl)c2F)c2cc(C(=O)N3CCOCC3)sc12
InChIInChI=1S/C30H27ClF2N6O5S/c31-19-6-2-1-4-17(19)18-5-3-7-20(25(18)33)35-29(42)22-12-16(32)14-38(22)24(40)15-39-21-13-23(30(43)37-8-10-44-11-9-37)45-27(21)26(36-39)28(34)41/h1-7,13,16,22H,8-12,14-15H2,(H2,34,41)(H,35,42)/t16-,22+/m1/s1
InChIKeyHDKRGJQSHVJMEM-ZHRRBRCNSA-N
MW657.10 g/mol
LogP3.71
Rot. Bonds7

About 1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(morpholine-4-carbonyl)thieno[3,2-c]pyrazole-3-carboxamide

1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(morpholine-4-carbonyl)thieno[3,2-c]pyrazole-3-carboxamide (PubChem CID 126617576) has the molecular formula C30H27ClF2N6O5S and a molecular weight of 657.10 g/mol. Its IUPAC name is 1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(morpholine-4-carbonyl)thieno[3,2-c]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(morpholine-4-carbonyl)thieno[3,2-c]pyrazole-3-carboxamide
PubChem CID126617576
Molecular FormulaC30H27ClF2N6O5S
Molecular Weight657.10 g/mol
Exact Mass656.14
IUPAC Name1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(morpholine-4-carbonyl)thieno[3,2-c]pyrazole-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(-c3ccccc3Cl)c2F)c2cc(C(=O)N3CCOCC3)sc12
InChIInChI=1S/C30H27ClF2N6O5S/c31-19-6-2-1-4-17(19)18-5-3-7-20(25(18)33)35-29(42)22-12-16(32)14-38(22)24(40)15-39-21-13-23(30(43)37-8-10-44-11-9-37)45-27(21)26(36-39)28(34)41/h1-7,13,16,22H,8-12,14-15H2,(H2,34,41)(H,35,42)/t16-,22+/m1/s1
InChIKeyHDKRGJQSHVJMEM-ZHRRBRCNSA-N
XLogP3.71
TPSA139.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500657.10
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(morpholine-4-carbonyl)thieno[3,2-c]pyrazole-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(morpholine-4-carbonyl)thieno[3,2-c]pyrazole-3-carboxamide?
The IUPAC name of 1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(morpholine-4-carbonyl)thieno[3,2-c]pyrazole-3-carboxamide (CID 126617576) is 1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(morpholine-4-carbonyl)thieno[3,2-c]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(morpholine-4-carbonyl)thieno[3,2-c]pyrazole-3-carboxamide?
The canonical SMILES for 1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(morpholine-4-carbonyl)thieno[3,2-c]pyrazole-3-carboxamide is NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(-c3ccccc3Cl)c2F)c2cc(C(=O)N3CCOCC3)sc12.
What is the InChIKey of 1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(morpholine-4-carbonyl)thieno[3,2-c]pyrazole-3-carboxamide?
The InChIKey is HDKRGJQSHVJMEM-ZHRRBRCNSA-N. The full InChI is InChI=1S/C30H27ClF2N6O5S/c31-19-6-2-1-4-17(19)18-5-3-7-20(25(18)33)35-29(42)22-12-16(32)14-38(22)24(40)15-39-21-13-23(30(43)37-8-10-44-11-9-37)45-27(21)26(36-39)28(34)41/h1-7,13,16,22H,8-12,14-15H2,(H2,34,41)(H,35,42)/t16-,22+/m1/s1.
What are the key properties of 1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(morpholine-4-carbonyl)thieno[3,2-c]pyrazole-3-carboxamide?
1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(morpholine-4-carbonyl)thieno[3,2-c]pyrazole-3-carboxamide has a molecular weight of 657.10 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(morpholine-4-carbonyl)thieno[3,2-c]pyrazole-3-carboxamide is sourced from PubChem (CID 126617576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).