1-[5-(dimethylamino)-3-pyridinyl]-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide

C22H25N9O2 — CID 146381598

IUPAC1-[5-(dimethylamino)-3-pyridinyl]-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCOc1nn(-c2cncc(N(C)C)c2)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1
InChIInChI=1S/C22H25N9O2/c1-14(2)30-13-24-27-20(30)18-7-6-8-19(25-18)26-21(32)17-12-31(28-22(17)33-5)16-9-15(29(3)4)10-23-11-16/h6-14H,1-5H3,(H,25,26,32)
InChIKeyKQBPDUUHJYKERD-UHFFFAOYSA-N
MW447.50 g/mol
LogP2.83
Rot. Bonds7

About 1-[5-(dimethylamino)-3-pyridinyl]-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide

1-[5-(dimethylamino)-3-pyridinyl]-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 146381598) has the molecular formula C22H25N9O2 and a molecular weight of 447.50 g/mol. Its IUPAC name is 1-[5-(dimethylamino)-3-pyridinyl]-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[5-(dimethylamino)-3-pyridinyl]-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID146381598
Molecular FormulaC22H25N9O2
Molecular Weight447.50 g/mol
Exact Mass447.21
IUPAC Name1-[5-(dimethylamino)-3-pyridinyl]-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCOc1nn(-c2cncc(N(C)C)c2)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1
InChIInChI=1S/C22H25N9O2/c1-14(2)30-13-24-27-20(30)18-7-6-8-19(25-18)26-21(32)17-12-31(28-22(17)33-5)16-9-15(29(3)4)10-23-11-16/h6-14H,1-5H3,(H,25,26,32)
InChIKeyKQBPDUUHJYKERD-UHFFFAOYSA-N
XLogP2.83
TPSA115.88 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(dimethylamino)-3-pyridinyl]-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[5-(dimethylamino)-3-pyridinyl]-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide (CID 146381598) is 1-[5-(dimethylamino)-3-pyridinyl]-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[5-(dimethylamino)-3-pyridinyl]-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[5-(dimethylamino)-3-pyridinyl]-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide is COc1nn(-c2cncc(N(C)C)c2)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1.
What is the InChIKey of 1-[5-(dimethylamino)-3-pyridinyl]-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is KQBPDUUHJYKERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N9O2/c1-14(2)30-13-24-27-20(30)18-7-6-8-19(25-18)26-21(32)17-12-31(28-22(17)33-5)16-9-15(29(3)4)10-23-11-16/h6-14H,1-5H3,(H,25,26,32).
What are the key properties of 1-[5-(dimethylamino)-3-pyridinyl]-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide?
1-[5-(dimethylamino)-3-pyridinyl]-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dimethylamino)-3-pyridinyl]-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 146381598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).