1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-pyrimidin-4-ylpiperidin-4-yl)indole-2-carboxamide

C26H23ClN6O2S — CID 20801143

IUPAC1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-pyrimidin-4-ylpiperidin-4-yl)indole-2-carboxamide
SMILESO=C(NC1CCN(c2ccncn2)CC1)c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1
InChIInChI=1S/C26H23ClN6O2S/c27-24-6-5-23(36-24)22-14-19(31-35-22)15-33-20-4-2-1-3-17(20)13-21(33)26(34)30-18-8-11-32(12-9-18)25-7-10-28-16-29-25/h1-7,10,13-14,16,18H,8-9,11-12,15H2,(H,30,34)
InChIKeyNNWDHTFSPUCMQQ-UHFFFAOYSA-N
MW519.03 g/mol
LogP5.25
Rot. Bonds6

About 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-pyrimidin-4-ylpiperidin-4-yl)indole-2-carboxamide

1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-pyrimidin-4-ylpiperidin-4-yl)indole-2-carboxamide (PubChem CID 20801143) has the molecular formula C26H23ClN6O2S and a molecular weight of 519.03 g/mol. Its IUPAC name is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-pyrimidin-4-ylpiperidin-4-yl)indole-2-carboxamide.

Molecular Properties

Compound Name1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-pyrimidin-4-ylpiperidin-4-yl)indole-2-carboxamide
PubChem CID20801143
Molecular FormulaC26H23ClN6O2S
Molecular Weight519.03 g/mol
Exact Mass518.13
IUPAC Name1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-pyrimidin-4-ylpiperidin-4-yl)indole-2-carboxamide
SMILESO=C(NC1CCN(c2ccncn2)CC1)c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1
InChIInChI=1S/C26H23ClN6O2S/c27-24-6-5-23(36-24)22-14-19(31-35-22)15-33-20-4-2-1-3-17(20)13-21(33)26(34)30-18-8-11-32(12-9-18)25-7-10-28-16-29-25/h1-7,10,13-14,16,18H,8-9,11-12,15H2,(H,30,34)
InChIKeyNNWDHTFSPUCMQQ-UHFFFAOYSA-N
XLogP5.25
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.03
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-(2-chloro-4-pyridinyl)piperidin-4-yl]-1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]indole-2-carboxamide
CID 91542066
N-[1-(2-chloropyrimidin-1-ium-4-yl)piperidin-4-yl]-1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]indole-2-carboxamide
CID 142244578
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-[1-(2-methylpropyl)piperidin-4-yl]indole-2-carboxamide
CID 20801125
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indole-4-carboxylic acid;hydrochloride
CID 68856569
[1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]indol-2-yl] N-[1-(oxan-4-yl)piperidin-4-yl]carbamate
CID 90309541
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-(2-methoxyethoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine-2-carboxamide;hydrochloride
CID 86595864
methyl 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indole-5-sulfonate
CID 11455950
2-(4-aminopiperidin-1-yl)-N-methylacetamide;1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]indole-2-carboxylic acid
CID 172858933
1-[2-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]ethyl]-7-methyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
CID 142244506
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)indole-2-carboxamide
CID 20801149
3-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-2-pyridin-3-ylimidazole-4-carboxamide
CID 10097872
3-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]thieno[3,4-d]imidazole-4-carboxylic acid
CID 67012497

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-pyrimidin-4-ylpiperidin-4-yl)indole-2-carboxamide?
The IUPAC name of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-pyrimidin-4-ylpiperidin-4-yl)indole-2-carboxamide (CID 20801143) is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-pyrimidin-4-ylpiperidin-4-yl)indole-2-carboxamide.
What is the SMILES notation for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-pyrimidin-4-ylpiperidin-4-yl)indole-2-carboxamide?
The canonical SMILES for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-pyrimidin-4-ylpiperidin-4-yl)indole-2-carboxamide is O=C(NC1CCN(c2ccncn2)CC1)c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1.
What is the InChIKey of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-pyrimidin-4-ylpiperidin-4-yl)indole-2-carboxamide?
The InChIKey is NNWDHTFSPUCMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN6O2S/c27-24-6-5-23(36-24)22-14-19(31-35-22)15-33-20-4-2-1-3-17(20)13-21(33)26(34)30-18-8-11-32(12-9-18)25-7-10-28-16-29-25/h1-7,10,13-14,16,18H,8-9,11-12,15H2,(H,30,34).
What are the key properties of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-pyrimidin-4-ylpiperidin-4-yl)indole-2-carboxamide?
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-pyrimidin-4-ylpiperidin-4-yl)indole-2-carboxamide has a molecular weight of 519.03 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-pyrimidin-4-ylpiperidin-4-yl)indole-2-carboxamide is sourced from PubChem (CID 20801143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).