5-[4-(N-[(1-methylpiperidin-4-yl)amino]anilino)-1H-pyrazol-5-yl]thiophene-2-carboxamide

C20H24N6OS — CID 175367380

IUPAC5-[4-(N-[(1-methylpiperidin-4-yl)amino]anilino)-1H-pyrazol-5-yl]thiophene-2-carboxamide
SMILESCN1CCC(NN(c2ccccc2)c2cn[nH]c2-c2ccc(C(N)=O)s2)CC1
InChIInChI=1S/C20H24N6OS/c1-25-11-9-14(10-12-25)24-26(15-5-3-2-4-6-15)16-13-22-23-19(16)17-7-8-18(28-17)20(21)27/h2-8,13-14,24H,9-12H2,1H3,(H2,21,27)(H,22,23)
InChIKeyMSMDQKVXKNAQAZ-UHFFFAOYSA-N
MW396.52 g/mol
LogP2.97
Rot. Bonds6

About 5-[4-(N-[(1-methylpiperidin-4-yl)amino]anilino)-1H-pyrazol-5-yl]thiophene-2-carboxamide

5-[4-(N-[(1-methylpiperidin-4-yl)amino]anilino)-1H-pyrazol-5-yl]thiophene-2-carboxamide (PubChem CID 175367380) has the molecular formula C20H24N6OS and a molecular weight of 396.52 g/mol. Its IUPAC name is 5-[4-(N-[(1-methylpiperidin-4-yl)amino]anilino)-1H-pyrazol-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[4-(N-[(1-methylpiperidin-4-yl)amino]anilino)-1H-pyrazol-5-yl]thiophene-2-carboxamide
PubChem CID175367380
Molecular FormulaC20H24N6OS
Molecular Weight396.52 g/mol
Exact Mass396.17
IUPAC Name5-[4-(N-[(1-methylpiperidin-4-yl)amino]anilino)-1H-pyrazol-5-yl]thiophene-2-carboxamide
SMILESCN1CCC(NN(c2ccccc2)c2cn[nH]c2-c2ccc(C(N)=O)s2)CC1
InChIInChI=1S/C20H24N6OS/c1-25-11-9-14(10-12-25)24-26(15-5-3-2-4-6-15)16-13-22-23-19(16)17-7-8-18(28-17)20(21)27/h2-8,13-14,24H,9-12H2,1H3,(H2,21,27)(H,22,23)
InChIKeyMSMDQKVXKNAQAZ-UHFFFAOYSA-N
XLogP2.97
TPSA90.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[4-(N-[(1-methylpiperidin-4-yl)amino]anilino)-1H-pyrazol-5-yl]thiophene-3-carbonitrile
CID 175367402
5-[3-[[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]amino]-1H-pyrazol-5-yl]thiophene-2-carboxamide
CID 175202267
N-(1-methylpiperidin-4-yl)-N-phenylacetamide
CID 527022
2-[methyl-[(1-methylpiperidin-4-yl)carbamoyl]amino]benzoic acid
CID 61198603
[(1-methylpiperidin-4-yl)-(4-oxo-1H-pyrazolo[5,4-d]pyrimidin-7-yl)-phenylmethyl]urea
CID 70164213
2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 80572046
4-fluoro-5-methyl-2-(N-[4-[(1-methylpiperidin-4-yl)amino]cyclohexyl]oxyanilino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 118234925
N-(1-methylpiperidin-4-yl)-1H-indazole-6-carboxamide
CID 62905083
1-(1-methylpiperidin-4-yl)-1-phenyl-3-(3-phenylpropyl)urea
CID 68749941
N-[(3S)-1-[5-(5-chlorothiophen-2-yl)-1H-pyrazole-4-carbonyl]pyrrolidin-3-yl]methanesulfonamide
CID 164642733
3-[(1-methylpiperidin-4-yl)amino]-5-phenylthiophene-2-carboxylic acid
CID 142679209
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687

Frequently Asked Questions

What is the IUPAC name of 5-[4-(N-[(1-methylpiperidin-4-yl)amino]anilino)-1H-pyrazol-5-yl]thiophene-2-carboxamide?
The IUPAC name of 5-[4-(N-[(1-methylpiperidin-4-yl)amino]anilino)-1H-pyrazol-5-yl]thiophene-2-carboxamide (CID 175367380) is 5-[4-(N-[(1-methylpiperidin-4-yl)amino]anilino)-1H-pyrazol-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[4-(N-[(1-methylpiperidin-4-yl)amino]anilino)-1H-pyrazol-5-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-[4-(N-[(1-methylpiperidin-4-yl)amino]anilino)-1H-pyrazol-5-yl]thiophene-2-carboxamide is CN1CCC(NN(c2ccccc2)c2cn[nH]c2-c2ccc(C(N)=O)s2)CC1.
What is the InChIKey of 5-[4-(N-[(1-methylpiperidin-4-yl)amino]anilino)-1H-pyrazol-5-yl]thiophene-2-carboxamide?
The InChIKey is MSMDQKVXKNAQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6OS/c1-25-11-9-14(10-12-25)24-26(15-5-3-2-4-6-15)16-13-22-23-19(16)17-7-8-18(28-17)20(21)27/h2-8,13-14,24H,9-12H2,1H3,(H2,21,27)(H,22,23).
What are the key properties of 5-[4-(N-[(1-methylpiperidin-4-yl)amino]anilino)-1H-pyrazol-5-yl]thiophene-2-carboxamide?
5-[4-(N-[(1-methylpiperidin-4-yl)amino]anilino)-1H-pyrazol-5-yl]thiophene-2-carboxamide has a molecular weight of 396.52 g/mol, XLogP of 2.97, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(N-[(1-methylpiperidin-4-yl)amino]anilino)-1H-pyrazol-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 175367380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).