[9-[(1-methylpyrazol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-thiophen-2-ylmethanone

C19H26N4OS — CID 97370689

IUPAC[9-[(1-methylpyrazol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-thiophen-2-ylmethanone
SMILESCn1cc(CN2CCC3(CC2)CCN(C(=O)c2cccs2)CC3)cn1
InChIInChI=1S/C19H26N4OS/c1-21-14-16(13-20-21)15-22-8-4-19(5-9-22)6-10-23(11-7-19)18(24)17-3-2-12-25-17/h2-3,12-14H,4-11,15H2,1H3
InChIKeyGOWUTFQIYLCOBK-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.00
Rot. Bonds3

About [9-[(1-methylpyrazol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-thiophen-2-ylmethanone

[9-[(1-methylpyrazol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-thiophen-2-ylmethanone (PubChem CID 97370689) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is [9-[(1-methylpyrazol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[9-[(1-methylpyrazol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-thiophen-2-ylmethanone
PubChem CID97370689
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name[9-[(1-methylpyrazol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-thiophen-2-ylmethanone
SMILESCn1cc(CN2CCC3(CC2)CCN(C(=O)c2cccs2)CC3)cn1
InChIInChI=1S/C19H26N4OS/c1-21-14-16(13-20-21)15-22-8-4-19(5-9-22)6-10-23(11-7-19)18(24)17-3-2-12-25-17/h2-3,12-14H,4-11,15H2,1H3
InChIKeyGOWUTFQIYLCOBK-UHFFFAOYSA-N
XLogP3.00
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 86905499
(4,4-diethylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 64592496
[9-[(1-methylpyrazol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-(1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 118743687
(3aR,8aR)-N-(cyclopropylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]-5-(thiophene-2-carbonyl)-3,3a,4,6,7,8-hexahydro-1H-pyrrolo[3,4-c]azepine-8a-carboxamide
CID 97403997
2-methoxy-1-[3-(thiophene-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 97370699
[(2S,3R)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 97384245
N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
CID 42404413
2-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-6-(thiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136764019
[8-[(1-methylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone
CID 97449478
2-(1-methylpyrazol-4-yl)-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131648158
10-[(1-methylpyrazol-4-yl)methyl]-2-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 131646488
[7-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone
CID 97472688

Frequently Asked Questions

What is the IUPAC name of [9-[(1-methylpyrazol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-thiophen-2-ylmethanone?
The IUPAC name of [9-[(1-methylpyrazol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-thiophen-2-ylmethanone (CID 97370689) is [9-[(1-methylpyrazol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [9-[(1-methylpyrazol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [9-[(1-methylpyrazol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-thiophen-2-ylmethanone is Cn1cc(CN2CCC3(CC2)CCN(C(=O)c2cccs2)CC3)cn1.
What is the InChIKey of [9-[(1-methylpyrazol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-thiophen-2-ylmethanone?
The InChIKey is GOWUTFQIYLCOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-21-14-16(13-20-21)15-22-8-4-19(5-9-22)6-10-23(11-7-19)18(24)17-3-2-12-25-17/h2-3,12-14H,4-11,15H2,1H3.
What are the key properties of [9-[(1-methylpyrazol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-thiophen-2-ylmethanone?
[9-[(1-methylpyrazol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-thiophen-2-ylmethanone has a molecular weight of 358.51 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[(1-methylpyrazol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 97370689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).