1-[(2-chlorophenyl)methyl]-3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide

C24H24ClN5O2S — CID 16588011

IUPAC1-[(2-chlorophenyl)methyl]-3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(Cc2ccccc2Cl)c2sc(C(=O)NCc3ccc(N4CCOCC4)nc3)cc12
InChIInChI=1S/C24H24ClN5O2S/c1-16-19-12-21(33-24(19)30(28-16)15-18-4-2-3-5-20(18)25)23(31)27-14-17-6-7-22(26-13-17)29-8-10-32-11-9-29/h2-7,12-13H,8-11,14-15H2,1H3,(H,27,31)
InChIKeyYZXUZXSKCDPWQD-UHFFFAOYSA-N
MW482.01 g/mol
LogP4.27
Rot. Bonds6

About 1-[(2-chlorophenyl)methyl]-3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide

1-[(2-chlorophenyl)methyl]-3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 16588011) has the molecular formula C24H24ClN5O2S and a molecular weight of 482.01 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID16588011
Molecular FormulaC24H24ClN5O2S
Molecular Weight482.01 g/mol
Exact Mass481.13
IUPAC Name1-[(2-chlorophenyl)methyl]-3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(Cc2ccccc2Cl)c2sc(C(=O)NCc3ccc(N4CCOCC4)nc3)cc12
InChIInChI=1S/C24H24ClN5O2S/c1-16-19-12-21(33-24(19)30(28-16)15-18-4-2-3-5-20(18)25)23(31)27-14-17-6-7-22(26-13-17)29-8-10-32-11-9-29/h2-7,12-13H,8-11,14-15H2,1H3,(H,27,31)
InChIKeyYZXUZXSKCDPWQD-UHFFFAOYSA-N
XLogP4.27
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.01
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-benzyl-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 112836143
1-[(2-chlorophenyl)methyl]-3-methyl-N-[2-(methylamino)ethyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119502821
1-(2-chlorophenyl)-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 16603401
N-[(2S)-1-aminopropan-2-yl]-1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 120507373
N-(3-aminobutyl)-1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119498006
3-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 24549522
1-[(2-chlorophenyl)methyl]-3-methyl-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 55484006
methyl 6-[[1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]hexanoate
CID 27744729
2,5-dimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thiophene-3-carboxamide
CID 37274285
N-(1-amino-2-methylpropan-2-yl)-1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 119523822
1-[(2-chlorophenyl)methyl]-N-(2-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 26584624
[1-[1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55464900

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide (CID 16588011) is 1-[(2-chlorophenyl)methyl]-3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NCc3ccc(N4CCOCC4)nc3)cc12.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is YZXUZXSKCDPWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O2S/c1-16-19-12-21(33-24(19)30(28-16)15-18-4-2-3-5-20(18)25)23(31)27-14-17-6-7-22(26-13-17)29-8-10-32-11-9-29/h2-7,12-13H,8-11,14-15H2,1H3,(H,27,31).
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide?
1-[(2-chlorophenyl)methyl]-3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 482.01 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 16588011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).