[4-[(1-methylpyrazol-3-yl)amino]-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

C20H29N5OS — CID 155873989

IUPAC[4-[(1-methylpyrazol-3-yl)amino]-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(CN2CCC(Nc3ccn(C)n3)(C(=O)N3CCCC3)CC2)s1
InChIInChI=1S/C20H29N5OS/c1-16-5-6-17(27-16)15-24-13-8-20(9-14-24,19(26)25-10-3-4-11-25)21-18-7-12-23(2)22-18/h5-7,12H,3-4,8-11,13-15H2,1-2H3,(H,21,22)
InChIKeyDEHNZLCQQDDQEL-UHFFFAOYSA-N
MW387.55 g/mol
LogP2.86
Rot. Bonds5

About [4-[(1-methylpyrazol-3-yl)amino]-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

[4-[(1-methylpyrazol-3-yl)amino]-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 155873989) has the molecular formula C20H29N5OS and a molecular weight of 387.55 g/mol. Its IUPAC name is [4-[(1-methylpyrazol-3-yl)amino]-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[(1-methylpyrazol-3-yl)amino]-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID155873989
Molecular FormulaC20H29N5OS
Molecular Weight387.55 g/mol
Exact Mass387.21
IUPAC Name[4-[(1-methylpyrazol-3-yl)amino]-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(CN2CCC(Nc3ccn(C)n3)(C(=O)N3CCCC3)CC2)s1
InChIInChI=1S/C20H29N5OS/c1-16-5-6-17(27-16)15-24-13-8-20(9-14-24,19(26)25-10-3-4-11-25)21-18-7-12-23(2)22-18/h5-7,12H,3-4,8-11,13-15H2,1-2H3,(H,21,22)
InChIKeyDEHNZLCQQDDQEL-UHFFFAOYSA-N
XLogP2.86
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(2-ethylbutyl)-4-[(1-methylpyrazol-3-yl)amino]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 155871243
[4-[(1-methylpyrazol-3-yl)amino]-4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-(1,3-oxazol-4-yl)methanone
CID 155876770
azetidin-1-yl-[1-[(5-methylthiophen-2-yl)methyl]-4-pyrazol-1-ylpiperidin-4-yl]methanone
CID 155872661
1-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155872962
1-methyl-9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[5.5]undecane
CID 97374456
[(3aS,6aS)-2-ethyl-1'-[(5-methylthiophen-2-yl)methyl]spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-yl]-pyrrolidin-1-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155830318
2-[4-[(5-methylthiophen-2-yl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 65062127
2-methyl-1-[4-[(5-methylthiophen-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 162374363
1-(5,6-dimethylpyrimidine-4-carbonyl)-N-methyl-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155878559
[4-anilino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-(azetidin-1-yl)methanone
CID 155873936
1-[(5-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid
CID 4044656
formic acid;N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
CID 155874464

Frequently Asked Questions

What is the IUPAC name of [4-[(1-methylpyrazol-3-yl)amino]-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[(1-methylpyrazol-3-yl)amino]-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 155873989) is [4-[(1-methylpyrazol-3-yl)amino]-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[(1-methylpyrazol-3-yl)amino]-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[(1-methylpyrazol-3-yl)amino]-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is Cc1ccc(CN2CCC(Nc3ccn(C)n3)(C(=O)N3CCCC3)CC2)s1.
What is the InChIKey of [4-[(1-methylpyrazol-3-yl)amino]-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is DEHNZLCQQDDQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5OS/c1-16-5-6-17(27-16)15-24-13-8-20(9-14-24,19(26)25-10-3-4-11-25)21-18-7-12-23(2)22-18/h5-7,12H,3-4,8-11,13-15H2,1-2H3,(H,21,22).
What are the key properties of [4-[(1-methylpyrazol-3-yl)amino]-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[4-[(1-methylpyrazol-3-yl)amino]-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 387.55 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-methylpyrazol-3-yl)amino]-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 155873989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).