4-(7-chloro-1-ethylpyrrolo[2,3-c]pyridin-3-yl)-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine

C23H23ClN6O — CID 46195238

IUPAC4-(7-chloro-1-ethylpyrrolo[2,3-c]pyridin-3-yl)-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine
SMILESCCn1cc(-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)c2ccnc(Cl)c21
InChIInChI=1S/C23H23ClN6O/c1-2-29-15-19(18-6-8-25-22(24)21(18)29)20-7-9-26-23(28-20)27-16-4-3-5-17(14-16)30-10-12-31-13-11-30/h3-9,14-15H,2,10-13H2,1H3,(H,26,27,28)
InChIKeyZTJMDERJRUHPCB-UHFFFAOYSA-N
MW434.93 g/mol
LogP4.75
Rot. Bonds5

About 4-(7-chloro-1-ethylpyrrolo[2,3-c]pyridin-3-yl)-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine

4-(7-chloro-1-ethylpyrrolo[2,3-c]pyridin-3-yl)-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine (PubChem CID 46195238) has the molecular formula C23H23ClN6O and a molecular weight of 434.93 g/mol. Its IUPAC name is 4-(7-chloro-1-ethylpyrrolo[2,3-c]pyridin-3-yl)-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(7-chloro-1-ethylpyrrolo[2,3-c]pyridin-3-yl)-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine
PubChem CID46195238
Molecular FormulaC23H23ClN6O
Molecular Weight434.93 g/mol
Exact Mass434.16
IUPAC Name4-(7-chloro-1-ethylpyrrolo[2,3-c]pyridin-3-yl)-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine
SMILESCCn1cc(-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)c2ccnc(Cl)c21
InChIInChI=1S/C23H23ClN6O/c1-2-29-15-19(18-6-8-25-22(24)21(18)29)20-7-9-26-23(28-20)27-16-4-3-5-17(14-16)30-10-12-31-13-11-30/h3-9,14-15H,2,10-13H2,1H3,(H,26,27,28)
InChIKeyZTJMDERJRUHPCB-UHFFFAOYSA-N
XLogP4.75
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(1-ethyl-7-methylpyrrolo[3,2-b]pyridin-3-yl)-N-(3-piperazin-1-ylphenyl)pyrimidin-2-amine
CID 46194952
4-methyl-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 171509337
N-(4-morpholin-4-ylphenyl)-4-(1-propylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine
CID 67445017
4-(5-chloro-7-methyl-1-propylpyrrolo[3,2-b]pyridin-3-yl)-N-(3-piperazin-1-ylphenyl)pyrimidin-2-amine
CID 66551695
5-[2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide
CID 59468365
4-N-(3-chloro-2,4-difluorophenyl)-4-N-methyl-2-N-(3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 25015407
4-(3-morpholin-4-ylphenyl)-N-[4-(triazol-1-yl)phenyl]pyrimidin-2-amine
CID 44627580
4-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 145490173
(2S)-2-morpholin-4-yl-N-[4-[2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-3-phenylpropanamide
CID 10460537
N-(3,4-dichlorophenyl)-4-morpholin-4-ylpyrimidin-2-amine
CID 112886522
N-ethyl-3-morpholin-4-ylaniline
CID 22605665
4-(2-chloro-3-methyl-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine
CID 24990163

Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-1-ethylpyrrolo[2,3-c]pyridin-3-yl)-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(7-chloro-1-ethylpyrrolo[2,3-c]pyridin-3-yl)-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine (CID 46195238) is 4-(7-chloro-1-ethylpyrrolo[2,3-c]pyridin-3-yl)-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(7-chloro-1-ethylpyrrolo[2,3-c]pyridin-3-yl)-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(7-chloro-1-ethylpyrrolo[2,3-c]pyridin-3-yl)-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine is CCn1cc(-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)c2ccnc(Cl)c21.
What is the InChIKey of 4-(7-chloro-1-ethylpyrrolo[2,3-c]pyridin-3-yl)-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine?
The InChIKey is ZTJMDERJRUHPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O/c1-2-29-15-19(18-6-8-25-22(24)21(18)29)20-7-9-26-23(28-20)27-16-4-3-5-17(14-16)30-10-12-31-13-11-30/h3-9,14-15H,2,10-13H2,1H3,(H,26,27,28).
What are the key properties of 4-(7-chloro-1-ethylpyrrolo[2,3-c]pyridin-3-yl)-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine?
4-(7-chloro-1-ethylpyrrolo[2,3-c]pyridin-3-yl)-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine has a molecular weight of 434.93 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloro-1-ethylpyrrolo[2,3-c]pyridin-3-yl)-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 46195238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).