(Z)-3-imino-1-[2-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine

C20H23N7O — CID 146555770

IUPAC(Z)-3-imino-1-[2-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine
SMILES[H]/N=C/C=C(\N)c1nccc2c(-c3ccnn3C)cc(N3CCOC[C@H]3C)nc12
InChIInChI=1S/C20H23N7O/c1-13-12-28-10-9-27(13)18-11-15(17-5-8-24-26(17)2)14-4-7-23-20(19(14)25-18)16(22)3-6-21/h3-8,11,13,21H,9-10,12,22H2,1-2H3/b16-3-,21-6+/t13-/m1/s1
InChIKeyBWKRNCGVRRDWKD-GGISHQKISA-N
MW377.45 g/mol
LogP2.20
Rot. Bonds4

About (Z)-3-imino-1-[2-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine

(Z)-3-imino-1-[2-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine (PubChem CID 146555770) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is (Z)-3-imino-1-[2-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-imino-1-[2-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine
PubChem CID146555770
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name(Z)-3-imino-1-[2-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine
SMILES[H]/N=C/C=C(\N)c1nccc2c(-c3ccnn3C)cc(N3CCOC[C@H]3C)nc12
InChIInChI=1S/C20H23N7O/c1-13-12-28-10-9-27(13)18-11-15(17-5-8-24-26(17)2)14-4-7-23-20(19(14)25-18)16(22)3-6-21/h3-8,11,13,21H,9-10,12,22H2,1-2H3/b16-3-,21-6+/t13-/m1/s1
InChIKeyBWKRNCGVRRDWKD-GGISHQKISA-N
XLogP2.20
TPSA105.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-imino-1-[2-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine?
The IUPAC name of (Z)-3-imino-1-[2-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine (CID 146555770) is (Z)-3-imino-1-[2-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-imino-1-[2-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine?
The canonical SMILES for (Z)-3-imino-1-[2-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine is [H]/N=C/C=C(\N)c1nccc2c(-c3ccnn3C)cc(N3CCOC[C@H]3C)nc12.
What is the InChIKey of (Z)-3-imino-1-[2-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine?
The InChIKey is BWKRNCGVRRDWKD-GGISHQKISA-N. The full InChI is InChI=1S/C20H23N7O/c1-13-12-28-10-9-27(13)18-11-15(17-5-8-24-26(17)2)14-4-7-23-20(19(14)25-18)16(22)3-6-21/h3-8,11,13,21H,9-10,12,22H2,1-2H3/b16-3-,21-6+/t13-/m1/s1.
What are the key properties of (Z)-3-imino-1-[2-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine?
(Z)-3-imino-1-[2-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine has a molecular weight of 377.45 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-imino-1-[2-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine is sourced from PubChem (CID 146555770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).