7-[1-methyl-3-(4-methyl-3-pyridinyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

C25H24N8 — CID 90289457

IUPAC7-[1-methyl-3-(4-methyl-3-pyridinyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCc1ccncc1-c1nn(C)cc1-c1cnc2ccc(Nc3cc(C(C)C)cnn3)nc2c1
InChIInChI=1S/C25H24N8/c1-15(2)17-10-24(31-28-12-17)30-23-6-5-21-22(29-23)9-18(11-27-21)20-14-33(4)32-25(20)19-13-26-8-7-16(19)3/h5-15H,1-4H3,(H,29,30,31)
InChIKeyCONJMEUBWTVKDZ-UHFFFAOYSA-N
MW436.52 g/mol
LogP5.06
Rot. Bonds5

About 7-[1-methyl-3-(4-methyl-3-pyridinyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

7-[1-methyl-3-(4-methyl-3-pyridinyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 90289457) has the molecular formula C25H24N8 and a molecular weight of 436.52 g/mol. Its IUPAC name is 7-[1-methyl-3-(4-methyl-3-pyridinyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

Compound Name7-[1-methyl-3-(4-methyl-3-pyridinyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
PubChem CID90289457
Molecular FormulaC25H24N8
Molecular Weight436.52 g/mol
Exact Mass436.21
IUPAC Name7-[1-methyl-3-(4-methyl-3-pyridinyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCc1ccncc1-c1nn(C)cc1-c1cnc2ccc(Nc3cc(C(C)C)cnn3)nc2c1
InChIInChI=1S/C25H24N8/c1-15(2)17-10-24(31-28-12-17)30-23-6-5-21-22(29-23)9-18(11-27-21)20-14-33(4)32-25(20)19-13-26-8-7-16(19)3/h5-15H,1-4H3,(H,29,30,31)
InChIKeyCONJMEUBWTVKDZ-UHFFFAOYSA-N
XLogP5.06
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.52
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[1-methyl-3-(4-methyl-3-pyridinyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The IUPAC name of 7-[1-methyl-3-(4-methyl-3-pyridinyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 90289457) is 7-[1-methyl-3-(4-methyl-3-pyridinyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.
What is the SMILES notation for 7-[1-methyl-3-(4-methyl-3-pyridinyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The canonical SMILES for 7-[1-methyl-3-(4-methyl-3-pyridinyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is Cc1ccncc1-c1nn(C)cc1-c1cnc2ccc(Nc3cc(C(C)C)cnn3)nc2c1.
What is the InChIKey of 7-[1-methyl-3-(4-methyl-3-pyridinyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The InChIKey is CONJMEUBWTVKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8/c1-15(2)17-10-24(31-28-12-17)30-23-6-5-21-22(29-23)9-18(11-27-21)20-14-33(4)32-25(20)19-13-26-8-7-16(19)3/h5-15H,1-4H3,(H,29,30,31).
What are the key properties of 7-[1-methyl-3-(4-methyl-3-pyridinyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
7-[1-methyl-3-(4-methyl-3-pyridinyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine has a molecular weight of 436.52 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-methyl-3-(4-methyl-3-pyridinyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 90289457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).