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

C20H25N5OS — CID 145012198

IUPAC(Z)-3-imino-1-[2-(3-methylmorpholin-4-yl)-4-(1-methylsulfanylcyclopropyl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine
SMILES[H]/N=C/C=C(\N)c1nccc2c(C3(SC)CC3)cc(N3CCOCC3C)nc12
InChIInChI=1S/C20H25N5OS/c1-13-12-26-10-9-25(13)17-11-15(20(27-2)5-6-20)14-4-8-23-19(18(14)24-17)16(22)3-7-21/h3-4,7-8,11,13,21H,5-6,9-10,12,22H2,1-2H3/b16-3-,21-7+
InChIKeyXLALZSWEDKCJNY-OGZRLXOGSA-N
MW383.52 g/mol
LogP3.16
Rot. Bonds5

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

(Z)-3-imino-1-[2-(3-methylmorpholin-4-yl)-4-(1-methylsulfanylcyclopropyl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine (PubChem CID 145012198) has the molecular formula C20H25N5OS and a molecular weight of 383.52 g/mol. Its IUPAC name is (Z)-3-imino-1-[2-(3-methylmorpholin-4-yl)-4-(1-methylsulfanylcyclopropyl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-imino-1-[2-(3-methylmorpholin-4-yl)-4-(1-methylsulfanylcyclopropyl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine
PubChem CID145012198
Molecular FormulaC20H25N5OS
Molecular Weight383.52 g/mol
Exact Mass383.18
IUPAC Name(Z)-3-imino-1-[2-(3-methylmorpholin-4-yl)-4-(1-methylsulfanylcyclopropyl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine
SMILES[H]/N=C/C=C(\N)c1nccc2c(C3(SC)CC3)cc(N3CCOCC3C)nc12
InChIInChI=1S/C20H25N5OS/c1-13-12-26-10-9-25(13)17-11-15(20(27-2)5-6-20)14-4-8-23-19(18(14)24-17)16(22)3-7-21/h3-4,7-8,11,13,21H,5-6,9-10,12,22H2,1-2H3/b16-3-,21-7+
InChIKeyXLALZSWEDKCJNY-OGZRLXOGSA-N
XLogP3.16
TPSA88.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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-(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-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine
CID 146555770
(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-piperidin-4-yl-1,7-naphthyridin-8-yl]prop-1-en-1-amine
CID 134446678
(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-methylpyrazol-3-yl)-2-morpholin-4-yl-1,7-naphthyridin-8-yl]prop-1-en-1-amine
CID 174290634
[1-[4-acetyl-2-(3-methylmorpholin-4-yl)-1,7-naphthyridin-8-yl]-3-iminoprop-1-enyl]-(oxan-2-yl)azanium
CID 148903429
[3-amino-3-[4-(1-azaniumylidene-2-cyclopropyl-2-hydrazinylideneethyl)-2-(3-methylmorpholin-4-yl)-1,7-naphthyridin-8-yl]prop-2-enylidene]azanium
CID 163665340
1-[1-(1-amino-3-iminoprop-1-enyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrazolo[5,4-b]pyridin-4-yl]cyclohexane-1-carboxamide
CID 174025535
4-(4,8-dichloro-1,7-naphthyridin-2-yl)-3-methylmorpholine
CID 134446451
6-(3-methylmorpholin-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-amine;methylsulfanylmethane
CID 142518022

Frequently Asked Questions

What is the IUPAC name of (Z)-3-imino-1-[2-(3-methylmorpholin-4-yl)-4-(1-methylsulfanylcyclopropyl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine?
The IUPAC name of (Z)-3-imino-1-[2-(3-methylmorpholin-4-yl)-4-(1-methylsulfanylcyclopropyl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine (CID 145012198) is (Z)-3-imino-1-[2-(3-methylmorpholin-4-yl)-4-(1-methylsulfanylcyclopropyl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-imino-1-[2-(3-methylmorpholin-4-yl)-4-(1-methylsulfanylcyclopropyl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine?
The canonical SMILES for (Z)-3-imino-1-[2-(3-methylmorpholin-4-yl)-4-(1-methylsulfanylcyclopropyl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine is [H]/N=C/C=C(\N)c1nccc2c(C3(SC)CC3)cc(N3CCOCC3C)nc12.
What is the InChIKey of (Z)-3-imino-1-[2-(3-methylmorpholin-4-yl)-4-(1-methylsulfanylcyclopropyl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine?
The InChIKey is XLALZSWEDKCJNY-OGZRLXOGSA-N. The full InChI is InChI=1S/C20H25N5OS/c1-13-12-26-10-9-25(13)17-11-15(20(27-2)5-6-20)14-4-8-23-19(18(14)24-17)16(22)3-7-21/h3-4,7-8,11,13,21H,5-6,9-10,12,22H2,1-2H3/b16-3-,21-7+.
What are the key properties of (Z)-3-imino-1-[2-(3-methylmorpholin-4-yl)-4-(1-methylsulfanylcyclopropyl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine?
(Z)-3-imino-1-[2-(3-methylmorpholin-4-yl)-4-(1-methylsulfanylcyclopropyl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine has a molecular weight of 383.52 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-imino-1-[2-(3-methylmorpholin-4-yl)-4-(1-methylsulfanylcyclopropyl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine is sourced from PubChem (CID 145012198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).