[6-methyl-3-[4-(1-oxo-2-propan-2-yl-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]carbamic acid

C26H35N5O4S — CID 68666227

IUPAC[6-methyl-3-[4-(1-oxo-2-propan-2-yl-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]carbamic acid
SMILESCc1ccc2c(C(=O)N3CCC(N4CCCC5(CCN(C(C)C)C5=O)C4)CC3)c(NC(=O)O)sc2n1
InChIInChI=1S/C26H35N5O4S/c1-16(2)31-14-10-26(24(31)33)9-4-11-30(15-26)18-7-12-29(13-8-18)23(32)20-19-6-5-17(3)27-21(19)36-22(20)28-25(34)35/h5-6,16,18,28H,4,7-15H2,1-3H3,(H,34,35)
InChIKeySADVVDUKILPARS-UHFFFAOYSA-N
MW513.66 g/mol
LogP4.02
Rot. Bonds4

About [6-methyl-3-[4-(1-oxo-2-propan-2-yl-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]carbamic acid

[6-methyl-3-[4-(1-oxo-2-propan-2-yl-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]carbamic acid (PubChem CID 68666227) has the molecular formula C26H35N5O4S and a molecular weight of 513.66 g/mol. Its IUPAC name is [6-methyl-3-[4-(1-oxo-2-propan-2-yl-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]carbamic acid.

Molecular Properties

Compound Name[6-methyl-3-[4-(1-oxo-2-propan-2-yl-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]carbamic acid
PubChem CID68666227
Molecular FormulaC26H35N5O4S
Molecular Weight513.66 g/mol
Exact Mass513.24
IUPAC Name[6-methyl-3-[4-(1-oxo-2-propan-2-yl-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]carbamic acid
SMILESCc1ccc2c(C(=O)N3CCC(N4CCCC5(CCN(C(C)C)C5=O)C4)CC3)c(NC(=O)O)sc2n1
InChIInChI=1S/C26H35N5O4S/c1-16(2)31-14-10-26(24(31)33)9-4-11-30(15-26)18-7-12-29(13-8-18)23(32)20-19-6-5-17(3)27-21(19)36-22(20)28-25(34)35/h5-6,16,18,28H,4,7-15H2,1-3H3,(H,34,35)
InChIKeySADVVDUKILPARS-UHFFFAOYSA-N
XLogP4.02
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.66
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [6-methyl-3-[4-(1-oxo-2-propan-2-yl-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]carbamic acid with MolForge

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Launch Full Analysis

Related Compounds

[3-[4-(1-oxo-2-propan-2-yl-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]carbamic acid
CID 68664637
tert-butyl N-[6-methyl-3-[4-(2-methyl-4-oxo-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]carbamate
CID 59279665
1-[1-[6-methyl-2-(methylcarbamoylamino)thieno[2,3-b]pyridine-3-carbonyl]piperidin-4-yl]-N-propan-2-yl-3-sulfanylpiperidine-3-carboxamide
CID 143727204
9-[1-(2-amino-6-methylthieno[2,3-b]pyridine-3-carbonyl)piperidin-4-yl]-2-methyl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one
CID 59279757
tert-butyl N-[3-[4-(1,3-dioxo-2-propan-2-yl-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-5,6-dimethylthieno[2,3-b]pyridin-2-yl]carbamate
CID 59279771
1-ethyl-3-[3-[4-(2-methyl-4-oxo-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]urea
CID 24957449
[3-[4-(3,3-dimethyl-1-oxo-2-oxa-9-azaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]urea
CID 59279691
3-amino-1-[1-[2-(methylcarbamoylamino)thieno[2,3-b]pyridine-3-carbonyl]piperidin-4-yl]-N-propan-2-ylpiperidine-3-carboxamide
CID 143727208
9-[1-(2-amino-5,6-dimethylthieno[2,3-b]pyridine-3-carbonyl)piperidin-4-yl]-2-methyl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one
CID 59279749
1-[3-[4-(1,3-dioxo-2-propan-2-yl-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-7-oxo-5,6-dihydro-4H-1-benzothiophen-2-yl]-3-propan-2-ylurea
CID 59373298
8-[1-(anthracene-9-carbonyl)piperidin-4-yl]-2-ethyl-2,8-diazaspiro[5.5]undecan-1-one
CID 57400701
1-[5-acetyl-3-[4-(3,3-dimethyl-1-oxo-2-oxa-9-azaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-3-ethylurea
CID 59373328

Frequently Asked Questions

What is the IUPAC name of [6-methyl-3-[4-(1-oxo-2-propan-2-yl-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]carbamic acid?
The IUPAC name of [6-methyl-3-[4-(1-oxo-2-propan-2-yl-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]carbamic acid (CID 68666227) is [6-methyl-3-[4-(1-oxo-2-propan-2-yl-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]carbamic acid.
What is the SMILES notation for [6-methyl-3-[4-(1-oxo-2-propan-2-yl-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]carbamic acid?
The canonical SMILES for [6-methyl-3-[4-(1-oxo-2-propan-2-yl-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]carbamic acid is Cc1ccc2c(C(=O)N3CCC(N4CCCC5(CCN(C(C)C)C5=O)C4)CC3)c(NC(=O)O)sc2n1.
What is the InChIKey of [6-methyl-3-[4-(1-oxo-2-propan-2-yl-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]carbamic acid?
The InChIKey is SADVVDUKILPARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O4S/c1-16(2)31-14-10-26(24(31)33)9-4-11-30(15-26)18-7-12-29(13-8-18)23(32)20-19-6-5-17(3)27-21(19)36-22(20)28-25(34)35/h5-6,16,18,28H,4,7-15H2,1-3H3,(H,34,35).
What are the key properties of [6-methyl-3-[4-(1-oxo-2-propan-2-yl-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]carbamic acid?
[6-methyl-3-[4-(1-oxo-2-propan-2-yl-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]carbamic acid has a molecular weight of 513.66 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-3-[4-(1-oxo-2-propan-2-yl-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]carbamic acid is sourced from PubChem (CID 68666227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).