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

C19H21N7O — CID 174290634

IUPAC(Z)-3-imino-1-[4-(2-methylpyrazol-3-yl)-2-morpholin-4-yl-1,7-naphthyridin-8-yl]prop-1-en-1-amine
SMILES[H]/N=C/C=C(\N)c1nccc2c(-c3ccnn3C)cc(N3CCOCC3)nc12
InChIInChI=1S/C19H21N7O/c1-25-16(4-7-23-25)14-12-17(26-8-10-27-11-9-26)24-18-13(14)3-6-22-19(18)15(21)2-5-20/h2-7,12,20H,8-11,21H2,1H3/b15-2-,20-5+
InChIKeyCIBLTYKIYXKRNW-NAKTVEHFSA-N
MW363.43 g/mol
LogP1.82
Rot. Bonds4

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

(Z)-3-imino-1-[4-(2-methylpyrazol-3-yl)-2-morpholin-4-yl-1,7-naphthyridin-8-yl]prop-1-en-1-amine (PubChem CID 174290634) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is (Z)-3-imino-1-[4-(2-methylpyrazol-3-yl)-2-morpholin-4-yl-1,7-naphthyridin-8-yl]prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-imino-1-[4-(2-methylpyrazol-3-yl)-2-morpholin-4-yl-1,7-naphthyridin-8-yl]prop-1-en-1-amine
PubChem CID174290634
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name(Z)-3-imino-1-[4-(2-methylpyrazol-3-yl)-2-morpholin-4-yl-1,7-naphthyridin-8-yl]prop-1-en-1-amine
SMILES[H]/N=C/C=C(\N)c1nccc2c(-c3ccnn3C)cc(N3CCOCC3)nc12
InChIInChI=1S/C19H21N7O/c1-25-16(4-7-23-25)14-12-17(26-8-10-27-11-9-26)24-18-13(14)3-6-22-19(18)15(21)2-5-20/h2-7,12,20H,8-11,21H2,1H3/b15-2-,20-5+
InChIKeyCIBLTYKIYXKRNW-NAKTVEHFSA-N
XLogP1.82
TPSA105.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(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
2-[8-[(Z)-1-amino-3-iminoprop-1-enyl]-2-[(3R)-3-methylmorpholin-4-yl]-1,7-naphthyridin-4-yl]-3,3-dimethylbutan-2-ol
CID 126486717
(Z)-3-imino-1-[4-isoquinolin-4-yl-2-[(3R)-3-methylmorpholin-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine
CID 134446481
(Z)-3-imino-1-[4-(2-methyl-6-methylsulfanyl-3-pyridinyl)-2-[(3R)-3-methylmorpholin-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine
CID 146556208
(Z)-3-imino-1-[2-(3-methylmorpholin-4-yl)-4-piperidin-4-yl-1,7-naphthyridin-8-yl]prop-1-en-1-amine
CID 134446678
(Z)-3-imino-1-[2-[(3R)-3-methylmorpholin-4-yl]-4-(thian-4-yl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine
CID 134446601
(Z)-3-imino-1-[2-(3-methylmorpholin-4-yl)-4-(1-methylsulfanylcyclopropyl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine
CID 145012198
4-[4-(2-methylpyrazol-3-yl)-8-[1-(oxan-2-yl)pyrrolo[3,2-b]pyridin-5-yl]-1,7-naphthyridin-2-yl]morpholine
CID 175912913
imino-methyl-[3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]-oxo-λ6-sulfane
CID 118890824
4-[4-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
CID 58508286
4-[4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]morpholine
CID 155439019
4-[4-phenyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869383

Frequently Asked Questions

What is the IUPAC name of (Z)-3-imino-1-[4-(2-methylpyrazol-3-yl)-2-morpholin-4-yl-1,7-naphthyridin-8-yl]prop-1-en-1-amine?
The IUPAC name of (Z)-3-imino-1-[4-(2-methylpyrazol-3-yl)-2-morpholin-4-yl-1,7-naphthyridin-8-yl]prop-1-en-1-amine (CID 174290634) is (Z)-3-imino-1-[4-(2-methylpyrazol-3-yl)-2-morpholin-4-yl-1,7-naphthyridin-8-yl]prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-imino-1-[4-(2-methylpyrazol-3-yl)-2-morpholin-4-yl-1,7-naphthyridin-8-yl]prop-1-en-1-amine?
The canonical SMILES for (Z)-3-imino-1-[4-(2-methylpyrazol-3-yl)-2-morpholin-4-yl-1,7-naphthyridin-8-yl]prop-1-en-1-amine is [H]/N=C/C=C(\N)c1nccc2c(-c3ccnn3C)cc(N3CCOCC3)nc12.
What is the InChIKey of (Z)-3-imino-1-[4-(2-methylpyrazol-3-yl)-2-morpholin-4-yl-1,7-naphthyridin-8-yl]prop-1-en-1-amine?
The InChIKey is CIBLTYKIYXKRNW-NAKTVEHFSA-N. The full InChI is InChI=1S/C19H21N7O/c1-25-16(4-7-23-25)14-12-17(26-8-10-27-11-9-26)24-18-13(14)3-6-22-19(18)15(21)2-5-20/h2-7,12,20H,8-11,21H2,1H3/b15-2-,20-5+.
What are the key properties of (Z)-3-imino-1-[4-(2-methylpyrazol-3-yl)-2-morpholin-4-yl-1,7-naphthyridin-8-yl]prop-1-en-1-amine?
(Z)-3-imino-1-[4-(2-methylpyrazol-3-yl)-2-morpholin-4-yl-1,7-naphthyridin-8-yl]prop-1-en-1-amine has a molecular weight of 363.43 g/mol, XLogP of 1.82, 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-[4-(2-methylpyrazol-3-yl)-2-morpholin-4-yl-1,7-naphthyridin-8-yl]prop-1-en-1-amine is sourced from PubChem (CID 174290634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).