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

C21H27N5OS — CID 134446601

IUPAC(Z)-3-imino-1-[2-[(3R)-3-methylmorpholin-4-yl]-4-(thian-4-yl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine
SMILES[H]/N=C/C=C(\N)c1nccc2c(C3CCSCC3)cc(N3CCOC[C@H]3C)nc12
InChIInChI=1S/C21H27N5OS/c1-14-13-27-9-8-26(14)19-12-17(15-4-10-28-11-5-15)16-3-7-24-21(20(16)25-19)18(23)2-6-22/h2-3,6-7,12,14-15,22H,4-5,8-11,13,23H2,1H3/b18-2-,22-6+/t14-/m1/s1
InChIKeyKCNZOPPYXFWLMZ-DLSNIWBASA-N
MW397.55 g/mol
LogP3.41
Rot. Bonds4

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

(Z)-3-imino-1-[2-[(3R)-3-methylmorpholin-4-yl]-4-(thian-4-yl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine (PubChem CID 134446601) has the molecular formula C21H27N5OS and a molecular weight of 397.55 g/mol. Its IUPAC name is (Z)-3-imino-1-[2-[(3R)-3-methylmorpholin-4-yl]-4-(thian-4-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-(thian-4-yl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine
PubChem CID134446601
Molecular FormulaC21H27N5OS
Molecular Weight397.55 g/mol
Exact Mass397.19
IUPAC Name(Z)-3-imino-1-[2-[(3R)-3-methylmorpholin-4-yl]-4-(thian-4-yl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine
SMILES[H]/N=C/C=C(\N)c1nccc2c(C3CCSCC3)cc(N3CCOC[C@H]3C)nc12
InChIInChI=1S/C21H27N5OS/c1-14-13-27-9-8-26(14)19-12-17(15-4-10-28-11-5-15)16-3-7-24-21(20(16)25-19)18(23)2-6-22/h2-3,6-7,12,14-15,22H,4-5,8-11,13,23H2,1H3/b18-2-,22-6+/t14-/m1/s1
InChIKeyKCNZOPPYXFWLMZ-DLSNIWBASA-N
XLogP3.41
TPSA88.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.55
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

(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
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-[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-(3-methylmorpholin-4-yl)-4-(1-methylsulfanylcyclopropyl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine
CID 145012198
(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
[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
(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
4-[4-cyclopropyl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 118869367
4-(4,8-dichloro-1,7-naphthyridin-2-yl)-3-methylmorpholine
CID 134446451
3-[4-(2-cyclopropylethynyl)-2-[(3R)-3-methylmorpholin-4-yl]-1,7-naphthyridin-8-yl]-3-(oxan-2-ylimino)prop-1-en-1-amine
CID 154487071

Frequently Asked Questions

What is the IUPAC name of (Z)-3-imino-1-[2-[(3R)-3-methylmorpholin-4-yl]-4-(thian-4-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-(thian-4-yl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine (CID 134446601) is (Z)-3-imino-1-[2-[(3R)-3-methylmorpholin-4-yl]-4-(thian-4-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-(thian-4-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-(thian-4-yl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine is [H]/N=C/C=C(\N)c1nccc2c(C3CCSCC3)cc(N3CCOC[C@H]3C)nc12.
What is the InChIKey of (Z)-3-imino-1-[2-[(3R)-3-methylmorpholin-4-yl]-4-(thian-4-yl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine?
The InChIKey is KCNZOPPYXFWLMZ-DLSNIWBASA-N. The full InChI is InChI=1S/C21H27N5OS/c1-14-13-27-9-8-26(14)19-12-17(15-4-10-28-11-5-15)16-3-7-24-21(20(16)25-19)18(23)2-6-22/h2-3,6-7,12,14-15,22H,4-5,8-11,13,23H2,1H3/b18-2-,22-6+/t14-/m1/s1.
What are the key properties of (Z)-3-imino-1-[2-[(3R)-3-methylmorpholin-4-yl]-4-(thian-4-yl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine?
(Z)-3-imino-1-[2-[(3R)-3-methylmorpholin-4-yl]-4-(thian-4-yl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine has a molecular weight of 397.55 g/mol, XLogP of 3.41, 4 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-[(3R)-3-methylmorpholin-4-yl]-4-(thian-4-yl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine is sourced from PubChem (CID 134446601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).