7-[1-[(6-amino-3-pyridinyl)methyl]pyrazol-4-yl]-N-(5-propan-2-yl-1,2-dihydropyridazin-3-yl)-1,5-naphthyridin-2-amine

C24H25N9 — CID 118519353

IUPAC7-[1-[(6-amino-3-pyridinyl)methyl]pyrazol-4-yl]-N-(5-propan-2-yl-1,2-dihydropyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)C1=CNNC(Nc2ccc3ncc(-c4cnn(Cc5ccc(N)nc5)c4)cc3n2)=C1
InChIInChI=1S/C24H25N9/c1-15(2)17-8-24(32-28-11-17)31-23-6-4-20-21(30-23)7-18(10-26-20)19-12-29-33(14-19)13-16-3-5-22(25)27-9-16/h3-12,14-15,28,32H,13H2,1-2H3,(H2,25,27)(H,30,31)
InChIKeyHMYMSJZVEHEFDR-UHFFFAOYSA-N
MW439.53 g/mol
LogP3.42
Rot. Bonds6

About 7-[1-[(6-amino-3-pyridinyl)methyl]pyrazol-4-yl]-N-(5-propan-2-yl-1,2-dihydropyridazin-3-yl)-1,5-naphthyridin-2-amine

7-[1-[(6-amino-3-pyridinyl)methyl]pyrazol-4-yl]-N-(5-propan-2-yl-1,2-dihydropyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 118519353) has the molecular formula C24H25N9 and a molecular weight of 439.53 g/mol. Its IUPAC name is 7-[1-[(6-amino-3-pyridinyl)methyl]pyrazol-4-yl]-N-(5-propan-2-yl-1,2-dihydropyridazin-3-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

Compound Name7-[1-[(6-amino-3-pyridinyl)methyl]pyrazol-4-yl]-N-(5-propan-2-yl-1,2-dihydropyridazin-3-yl)-1,5-naphthyridin-2-amine
PubChem CID118519353
Molecular FormulaC24H25N9
Molecular Weight439.53 g/mol
Exact Mass439.22
IUPAC Name7-[1-[(6-amino-3-pyridinyl)methyl]pyrazol-4-yl]-N-(5-propan-2-yl-1,2-dihydropyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)C1=CNNC(Nc2ccc3ncc(-c4cnn(Cc5ccc(N)nc5)c4)cc3n2)=C1
InChIInChI=1S/C24H25N9/c1-15(2)17-8-24(32-28-11-17)31-23-6-4-20-21(30-23)7-18(10-26-20)19-12-29-33(14-19)13-16-3-5-22(25)27-9-16/h3-12,14-15,28,32H,13H2,1-2H3,(H2,25,27)(H,30,31)
InChIKeyHMYMSJZVEHEFDR-UHFFFAOYSA-N
XLogP3.42
TPSA118.60 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.53
LogP ≤ 53.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 7-[1-[(6-amino-3-pyridinyl)methyl]pyrazol-4-yl]-N-(5-propan-2-yl-1,2-dihydropyridazin-3-yl)-1,5-naphthyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[1-[(6-amino-3-pyridinyl)methyl]pyrazol-4-yl]-N-(5-propan-2-yl-1,2-dihydropyridazin-3-yl)-1,5-naphthyridin-2-amine?
The IUPAC name of 7-[1-[(6-amino-3-pyridinyl)methyl]pyrazol-4-yl]-N-(5-propan-2-yl-1,2-dihydropyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 118519353) is 7-[1-[(6-amino-3-pyridinyl)methyl]pyrazol-4-yl]-N-(5-propan-2-yl-1,2-dihydropyridazin-3-yl)-1,5-naphthyridin-2-amine.
What is the SMILES notation for 7-[1-[(6-amino-3-pyridinyl)methyl]pyrazol-4-yl]-N-(5-propan-2-yl-1,2-dihydropyridazin-3-yl)-1,5-naphthyridin-2-amine?
The canonical SMILES for 7-[1-[(6-amino-3-pyridinyl)methyl]pyrazol-4-yl]-N-(5-propan-2-yl-1,2-dihydropyridazin-3-yl)-1,5-naphthyridin-2-amine is CC(C)C1=CNNC(Nc2ccc3ncc(-c4cnn(Cc5ccc(N)nc5)c4)cc3n2)=C1.
What is the InChIKey of 7-[1-[(6-amino-3-pyridinyl)methyl]pyrazol-4-yl]-N-(5-propan-2-yl-1,2-dihydropyridazin-3-yl)-1,5-naphthyridin-2-amine?
The InChIKey is HMYMSJZVEHEFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N9/c1-15(2)17-8-24(32-28-11-17)31-23-6-4-20-21(30-23)7-18(10-26-20)19-12-29-33(14-19)13-16-3-5-22(25)27-9-16/h3-12,14-15,28,32H,13H2,1-2H3,(H2,25,27)(H,30,31).
What are the key properties of 7-[1-[(6-amino-3-pyridinyl)methyl]pyrazol-4-yl]-N-(5-propan-2-yl-1,2-dihydropyridazin-3-yl)-1,5-naphthyridin-2-amine?
7-[1-[(6-amino-3-pyridinyl)methyl]pyrazol-4-yl]-N-(5-propan-2-yl-1,2-dihydropyridazin-3-yl)-1,5-naphthyridin-2-amine has a molecular weight of 439.53 g/mol, XLogP of 3.42, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[(6-amino-3-pyridinyl)methyl]pyrazol-4-yl]-N-(5-propan-2-yl-1,2-dihydropyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 118519353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).