N-[(4-chlorophenyl)methyl]-6-(6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl)-1-(oxan-2-yl)indazole-3-carboxamide

C25H26ClN7O2 — CID 156526061

IUPACN-[(4-chlorophenyl)methyl]-6-(6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl)-1-(oxan-2-yl)indazole-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1nn(C2CCCCO2)c2cc(N3CCn4nncc4C3)ccc12
InChIInChI=1S/C25H26ClN7O2/c26-18-6-4-17(5-7-18)14-27-25(34)24-21-9-8-19(31-10-11-32-20(16-31)15-28-30-32)13-22(21)33(29-24)23-3-1-2-12-35-23/h4-9,13,15,23H,1-3,10-12,14,16H2,(H,27,34)
InChIKeyRXXNGBZPAKISJX-UHFFFAOYSA-N
MW491.98 g/mol
LogP3.93
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-6-(6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl)-1-(oxan-2-yl)indazole-3-carboxamide

N-[(4-chlorophenyl)methyl]-6-(6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl)-1-(oxan-2-yl)indazole-3-carboxamide (PubChem CID 156526061) has the molecular formula C25H26ClN7O2 and a molecular weight of 491.98 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-6-(6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl)-1-(oxan-2-yl)indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-6-(6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl)-1-(oxan-2-yl)indazole-3-carboxamide
PubChem CID156526061
Molecular FormulaC25H26ClN7O2
Molecular Weight491.98 g/mol
Exact Mass491.18
IUPAC NameN-[(4-chlorophenyl)methyl]-6-(6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl)-1-(oxan-2-yl)indazole-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1nn(C2CCCCO2)c2cc(N3CCn4nncc4C3)ccc12
InChIInChI=1S/C25H26ClN7O2/c26-18-6-4-17(5-7-18)14-27-25(34)24-21-9-8-19(31-10-11-32-20(16-31)15-28-30-32)13-22(21)33(29-24)23-3-1-2-12-35-23/h4-9,13,15,23H,1-3,10-12,14,16H2,(H,27,34)
InChIKeyRXXNGBZPAKISJX-UHFFFAOYSA-N
XLogP3.93
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.98
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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5-chloro-1-(oxan-2-yl)indazole
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N-[(4-chlorophenyl)methyl]-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109211807
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N-[(4-chlorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-6-(6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl)-1-(oxan-2-yl)indazole-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-6-(6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl)-1-(oxan-2-yl)indazole-3-carboxamide (CID 156526061) is N-[(4-chlorophenyl)methyl]-6-(6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl)-1-(oxan-2-yl)indazole-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-6-(6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl)-1-(oxan-2-yl)indazole-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-6-(6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl)-1-(oxan-2-yl)indazole-3-carboxamide is O=C(NCc1ccc(Cl)cc1)c1nn(C2CCCCO2)c2cc(N3CCn4nncc4C3)ccc12.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-6-(6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl)-1-(oxan-2-yl)indazole-3-carboxamide?
The InChIKey is RXXNGBZPAKISJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN7O2/c26-18-6-4-17(5-7-18)14-27-25(34)24-21-9-8-19(31-10-11-32-20(16-31)15-28-30-32)13-22(21)33(29-24)23-3-1-2-12-35-23/h4-9,13,15,23H,1-3,10-12,14,16H2,(H,27,34).
What are the key properties of N-[(4-chlorophenyl)methyl]-6-(6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl)-1-(oxan-2-yl)indazole-3-carboxamide?
N-[(4-chlorophenyl)methyl]-6-(6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl)-1-(oxan-2-yl)indazole-3-carboxamide has a molecular weight of 491.98 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-6-(6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl)-1-(oxan-2-yl)indazole-3-carboxamide is sourced from PubChem (CID 156526061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).