6-chloro-N-(1-propan-2-ylpiperidin-4-yl)-5-pyridin-3-yl-1H-indazole-3-carboxamide

C21H24ClN5O — CID 118381177

IUPAC6-chloro-N-(1-propan-2-ylpiperidin-4-yl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2n[nH]c3cc(Cl)c(-c4cccnc4)cc23)CC1
InChIInChI=1S/C21H24ClN5O/c1-13(2)27-8-5-15(6-9-27)24-21(28)20-17-10-16(14-4-3-7-23-12-14)18(22)11-19(17)25-26-20/h3-4,7,10-13,15H,5-6,8-9H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyYZLZVTHVCHZATF-UHFFFAOYSA-N
MW397.91 g/mol
LogP3.88
Rot. Bonds4

About 6-chloro-N-(1-propan-2-ylpiperidin-4-yl)-5-pyridin-3-yl-1H-indazole-3-carboxamide

6-chloro-N-(1-propan-2-ylpiperidin-4-yl)-5-pyridin-3-yl-1H-indazole-3-carboxamide (PubChem CID 118381177) has the molecular formula C21H24ClN5O and a molecular weight of 397.91 g/mol. Its IUPAC name is 6-chloro-N-(1-propan-2-ylpiperidin-4-yl)-5-pyridin-3-yl-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1-propan-2-ylpiperidin-4-yl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
PubChem CID118381177
Molecular FormulaC21H24ClN5O
Molecular Weight397.91 g/mol
Exact Mass397.17
IUPAC Name6-chloro-N-(1-propan-2-ylpiperidin-4-yl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2n[nH]c3cc(Cl)c(-c4cccnc4)cc23)CC1
InChIInChI=1S/C21H24ClN5O/c1-13(2)27-8-5-15(6-9-27)24-21(28)20-17-10-16(14-4-3-7-23-12-14)18(22)11-19(17)25-26-20/h3-4,7,10-13,15H,5-6,8-9H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyYZLZVTHVCHZATF-UHFFFAOYSA-N
XLogP3.88
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-propan-2-ylpiperidin-4-yl)-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The IUPAC name of 6-chloro-N-(1-propan-2-ylpiperidin-4-yl)-5-pyridin-3-yl-1H-indazole-3-carboxamide (CID 118381177) is 6-chloro-N-(1-propan-2-ylpiperidin-4-yl)-5-pyridin-3-yl-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(1-propan-2-ylpiperidin-4-yl)-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The canonical SMILES for 6-chloro-N-(1-propan-2-ylpiperidin-4-yl)-5-pyridin-3-yl-1H-indazole-3-carboxamide is CC(C)N1CCC(NC(=O)c2n[nH]c3cc(Cl)c(-c4cccnc4)cc23)CC1.
What is the InChIKey of 6-chloro-N-(1-propan-2-ylpiperidin-4-yl)-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The InChIKey is YZLZVTHVCHZATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O/c1-13(2)27-8-5-15(6-9-27)24-21(28)20-17-10-16(14-4-3-7-23-12-14)18(22)11-19(17)25-26-20/h3-4,7,10-13,15H,5-6,8-9H2,1-2H3,(H,24,28)(H,25,26).
What are the key properties of 6-chloro-N-(1-propan-2-ylpiperidin-4-yl)-5-pyridin-3-yl-1H-indazole-3-carboxamide?
6-chloro-N-(1-propan-2-ylpiperidin-4-yl)-5-pyridin-3-yl-1H-indazole-3-carboxamide has a molecular weight of 397.91 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-propan-2-ylpiperidin-4-yl)-5-pyridin-3-yl-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).