1-N-(cyclopropylmethyl)-7-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2,6-naphthyridine-1,7-diamine

C23H24N6O — CID 73387062

IUPAC1-N-(cyclopropylmethyl)-7-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2,6-naphthyridine-1,7-diamine
SMILESCOc1cc(-c2cnn(C)c2)ccc1Nc1cc2c(NCC3CC3)nccc2cn1
InChIInChI=1S/C23H24N6O/c1-29-14-18(13-27-29)16-5-6-20(21(9-16)30-2)28-22-10-19-17(12-25-22)7-8-24-23(19)26-11-15-3-4-15/h5-10,12-15H,3-4,11H2,1-2H3,(H,24,26)(H,25,28)
InChIKeyORHOFZZOEONKQY-UHFFFAOYSA-N
MW400.49 g/mol
LogP4.60
Rot. Bonds7

About 1-N-(cyclopropylmethyl)-7-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2,6-naphthyridine-1,7-diamine

1-N-(cyclopropylmethyl)-7-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2,6-naphthyridine-1,7-diamine (PubChem CID 73387062) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 1-N-(cyclopropylmethyl)-7-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2,6-naphthyridine-1,7-diamine.

Molecular Properties

Compound Name1-N-(cyclopropylmethyl)-7-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2,6-naphthyridine-1,7-diamine
PubChem CID73387062
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name1-N-(cyclopropylmethyl)-7-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2,6-naphthyridine-1,7-diamine
SMILESCOc1cc(-c2cnn(C)c2)ccc1Nc1cc2c(NCC3CC3)nccc2cn1
InChIInChI=1S/C23H24N6O/c1-29-14-18(13-27-29)16-5-6-20(21(9-16)30-2)28-22-10-19-17(12-25-22)7-8-24-23(19)26-11-15-3-4-15/h5-10,12-15H,3-4,11H2,1-2H3,(H,24,26)(H,25,28)
InChIKeyORHOFZZOEONKQY-UHFFFAOYSA-N
XLogP4.60
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-N-(cyclopropylmethyl)-7-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2,6-naphthyridine-1,7-diamine?
The IUPAC name of 1-N-(cyclopropylmethyl)-7-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2,6-naphthyridine-1,7-diamine (CID 73387062) is 1-N-(cyclopropylmethyl)-7-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2,6-naphthyridine-1,7-diamine.
What is the SMILES notation for 1-N-(cyclopropylmethyl)-7-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2,6-naphthyridine-1,7-diamine?
The canonical SMILES for 1-N-(cyclopropylmethyl)-7-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2,6-naphthyridine-1,7-diamine is COc1cc(-c2cnn(C)c2)ccc1Nc1cc2c(NCC3CC3)nccc2cn1.
What is the InChIKey of 1-N-(cyclopropylmethyl)-7-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2,6-naphthyridine-1,7-diamine?
The InChIKey is ORHOFZZOEONKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-29-14-18(13-27-29)16-5-6-20(21(9-16)30-2)28-22-10-19-17(12-25-22)7-8-24-23(19)26-11-15-3-4-15/h5-10,12-15H,3-4,11H2,1-2H3,(H,24,26)(H,25,28).
What are the key properties of 1-N-(cyclopropylmethyl)-7-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2,6-naphthyridine-1,7-diamine?
1-N-(cyclopropylmethyl)-7-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2,6-naphthyridine-1,7-diamine has a molecular weight of 400.49 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(cyclopropylmethyl)-7-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2,6-naphthyridine-1,7-diamine is sourced from PubChem (CID 73387062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).