3-amino-6-chloro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indazole-1-carboxamide

C18H17ClN8O — CID 151755741

IUPAC3-amino-6-chloro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indazole-1-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)n2nc(N)c3ccc(Cl)cc32)n1
InChIInChI=1S/C18H17ClN8O/c1-10(2)26-9-21-24-17(26)13-4-3-5-15(22-13)23-18(28)27-14-8-11(19)6-7-12(14)16(20)25-27/h3-10H,1-2H3,(H2,20,25)(H,22,23,28)
InChIKeyRPMPKAXZEIMNIO-UHFFFAOYSA-N
MW396.84 g/mol
LogP3.59
Rot. Bonds3

About 3-amino-6-chloro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indazole-1-carboxamide

3-amino-6-chloro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indazole-1-carboxamide (PubChem CID 151755741) has the molecular formula C18H17ClN8O and a molecular weight of 396.84 g/mol. Its IUPAC name is 3-amino-6-chloro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indazole-1-carboxamide.

Molecular Properties

Compound Name3-amino-6-chloro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indazole-1-carboxamide
PubChem CID151755741
Molecular FormulaC18H17ClN8O
Molecular Weight396.84 g/mol
Exact Mass396.12
IUPAC Name3-amino-6-chloro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indazole-1-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)n2nc(N)c3ccc(Cl)cc32)n1
InChIInChI=1S/C18H17ClN8O/c1-10(2)26-9-21-24-17(26)13-4-3-5-15(22-13)23-18(28)27-14-8-11(19)6-7-12(14)16(20)25-27/h3-10H,1-2H3,(H2,20,25)(H,22,23,28)
InChIKeyRPMPKAXZEIMNIO-UHFFFAOYSA-N
XLogP3.59
TPSA116.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.84
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indazole-1-carboxamide?
The IUPAC name of 3-amino-6-chloro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indazole-1-carboxamide (CID 151755741) is 3-amino-6-chloro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indazole-1-carboxamide.
What is the SMILES notation for 3-amino-6-chloro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indazole-1-carboxamide?
The canonical SMILES for 3-amino-6-chloro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indazole-1-carboxamide is CC(C)n1cnnc1-c1cccc(NC(=O)n2nc(N)c3ccc(Cl)cc32)n1.
What is the InChIKey of 3-amino-6-chloro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indazole-1-carboxamide?
The InChIKey is RPMPKAXZEIMNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN8O/c1-10(2)26-9-21-24-17(26)13-4-3-5-15(22-13)23-18(28)27-14-8-11(19)6-7-12(14)16(20)25-27/h3-10H,1-2H3,(H2,20,25)(H,22,23,28).
What are the key properties of 3-amino-6-chloro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indazole-1-carboxamide?
3-amino-6-chloro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indazole-1-carboxamide has a molecular weight of 396.84 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indazole-1-carboxamide is sourced from PubChem (CID 151755741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).