1-[4-[7-[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1,6-naphthyridin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol

C25H26N8O2 — CID 73388690

IUPAC1-[4-[7-[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1,6-naphthyridin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCOc1cc(-c2nncn2C)ccc1Nc1cc2nc(-c3cnn(CC(C)(C)O)c3)ccc2cn1
InChIInChI=1S/C25H26N8O2/c1-25(2,34)14-33-13-18(12-28-33)19-7-6-17-11-26-23(10-21(17)29-19)30-20-8-5-16(9-22(20)35-4)24-31-27-15-32(24)3/h5-13,15,34H,14H2,1-4H3,(H,26,30)
InChIKeyKKRPNCHECRCUJR-UHFFFAOYSA-N
MW470.54 g/mol
LogP3.81
Rot. Bonds7

About 1-[4-[7-[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1,6-naphthyridin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol

1-[4-[7-[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1,6-naphthyridin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol (PubChem CID 73388690) has the molecular formula C25H26N8O2 and a molecular weight of 470.54 g/mol. Its IUPAC name is 1-[4-[7-[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1,6-naphthyridin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[7-[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1,6-naphthyridin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol
PubChem CID73388690
Molecular FormulaC25H26N8O2
Molecular Weight470.54 g/mol
Exact Mass470.22
IUPAC Name1-[4-[7-[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1,6-naphthyridin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCOc1cc(-c2nncn2C)ccc1Nc1cc2nc(-c3cnn(CC(C)(C)O)c3)ccc2cn1
InChIInChI=1S/C25H26N8O2/c1-25(2,34)14-33-13-18(12-28-33)19-7-6-17-11-26-23(10-21(17)29-19)30-20-8-5-16(9-22(20)35-4)24-31-27-15-32(24)3/h5-13,15,34H,14H2,1-4H3,(H,26,30)
InChIKeyKKRPNCHECRCUJR-UHFFFAOYSA-N
XLogP3.81
TPSA115.80 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.54
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1,6-naphthyridin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[7-[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1,6-naphthyridin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol (CID 73388690) is 1-[4-[7-[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1,6-naphthyridin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[7-[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1,6-naphthyridin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[7-[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1,6-naphthyridin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol is COc1cc(-c2nncn2C)ccc1Nc1cc2nc(-c3cnn(CC(C)(C)O)c3)ccc2cn1.
What is the InChIKey of 1-[4-[7-[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1,6-naphthyridin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The InChIKey is KKRPNCHECRCUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O2/c1-25(2,34)14-33-13-18(12-28-33)19-7-6-17-11-26-23(10-21(17)29-19)30-20-8-5-16(9-22(20)35-4)24-31-27-15-32(24)3/h5-13,15,34H,14H2,1-4H3,(H,26,30).
What are the key properties of 1-[4-[7-[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1,6-naphthyridin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
1-[4-[7-[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1,6-naphthyridin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 470.54 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1,6-naphthyridin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 73388690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).