3-amino-5-(1-methylpyrazol-4-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indazole-1-carboxamide

C22H22N10O — CID 150629767

IUPAC3-amino-5-(1-methylpyrazol-4-yl)-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)c3cc(-c4cnn(C)c4)ccc32)n1
InChIInChI=1S/C22H22N10O/c1-13(2)31-12-24-28-21(31)17-5-4-6-19(26-17)27-22(33)32-18-8-7-14(9-16(18)20(23)29-32)15-10-25-30(3)11-15/h4-13H,1-3H3,(H2,23,29)(H,26,27,33)
InChIKeyIXQDRCJGOYJROW-UHFFFAOYSA-N
MW442.49 g/mol
LogP3.33
Rot. Bonds4

About 3-amino-5-(1-methylpyrazol-4-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indazole-1-carboxamide

3-amino-5-(1-methylpyrazol-4-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indazole-1-carboxamide (PubChem CID 150629767) has the molecular formula C22H22N10O and a molecular weight of 442.49 g/mol. Its IUPAC name is 3-amino-5-(1-methylpyrazol-4-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indazole-1-carboxamide.

Molecular Properties

Compound Name3-amino-5-(1-methylpyrazol-4-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indazole-1-carboxamide
PubChem CID150629767
Molecular FormulaC22H22N10O
Molecular Weight442.49 g/mol
Exact Mass442.20
IUPAC Name3-amino-5-(1-methylpyrazol-4-yl)-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)c3cc(-c4cnn(C)c4)ccc32)n1
InChIInChI=1S/C22H22N10O/c1-13(2)31-12-24-28-21(31)17-5-4-6-19(26-17)27-22(33)32-18-8-7-14(9-16(18)20(23)29-32)15-10-25-30(3)11-15/h4-13H,1-3H3,(H2,23,29)(H,26,27,33)
InChIKeyIXQDRCJGOYJROW-UHFFFAOYSA-N
XLogP3.33
TPSA134.36 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(1-methylpyrazol-4-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indazole-1-carboxamide?
The IUPAC name of 3-amino-5-(1-methylpyrazol-4-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indazole-1-carboxamide (CID 150629767) is 3-amino-5-(1-methylpyrazol-4-yl)-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-5-(1-methylpyrazol-4-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indazole-1-carboxamide?
The canonical SMILES for 3-amino-5-(1-methylpyrazol-4-yl)-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)c3cc(-c4cnn(C)c4)ccc32)n1.
What is the InChIKey of 3-amino-5-(1-methylpyrazol-4-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indazole-1-carboxamide?
The InChIKey is IXQDRCJGOYJROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N10O/c1-13(2)31-12-24-28-21(31)17-5-4-6-19(26-17)27-22(33)32-18-8-7-14(9-16(18)20(23)29-32)15-10-25-30(3)11-15/h4-13H,1-3H3,(H2,23,29)(H,26,27,33).
What are the key properties of 3-amino-5-(1-methylpyrazol-4-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indazole-1-carboxamide?
3-amino-5-(1-methylpyrazol-4-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indazole-1-carboxamide has a molecular weight of 442.49 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(1-methylpyrazol-4-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indazole-1-carboxamide is sourced from PubChem (CID 150629767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).