N-[5-chloro-4-(3-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-yl]-6-methoxy-2-methyl-1,3-dihydroisoindol-5-amine

C23H24ClN5O — CID 175826872

IUPACN-[5-chloro-4-(3-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-yl]-6-methoxy-2-methyl-1,3-dihydroisoindol-5-amine
SMILESCOc1cc2c(cc1Nc1ncc(Cl)c(N3CC(C)c4ccccc43)n1)CN(C)C2
InChIInChI=1S/C23H24ClN5O/c1-14-11-29(20-7-5-4-6-17(14)20)22-18(24)10-25-23(27-22)26-19-8-15-12-28(2)13-16(15)9-21(19)30-3/h4-10,14H,11-13H2,1-3H3,(H,25,26,27)
InChIKeyRXXYJCKOXGLNRX-UHFFFAOYSA-N
MW421.93 g/mol
LogP5.08
Rot. Bonds4

About N-[5-chloro-4-(3-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-yl]-6-methoxy-2-methyl-1,3-dihydroisoindol-5-amine

N-[5-chloro-4-(3-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-yl]-6-methoxy-2-methyl-1,3-dihydroisoindol-5-amine (PubChem CID 175826872) has the molecular formula C23H24ClN5O and a molecular weight of 421.93 g/mol. Its IUPAC name is N-[5-chloro-4-(3-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-yl]-6-methoxy-2-methyl-1,3-dihydroisoindol-5-amine.

Molecular Properties

Compound NameN-[5-chloro-4-(3-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-yl]-6-methoxy-2-methyl-1,3-dihydroisoindol-5-amine
PubChem CID175826872
Molecular FormulaC23H24ClN5O
Molecular Weight421.93 g/mol
Exact Mass421.17
IUPAC NameN-[5-chloro-4-(3-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-yl]-6-methoxy-2-methyl-1,3-dihydroisoindol-5-amine
SMILESCOc1cc2c(cc1Nc1ncc(Cl)c(N3CC(C)c4ccccc43)n1)CN(C)C2
InChIInChI=1S/C23H24ClN5O/c1-14-11-29(20-7-5-4-6-17(14)20)22-18(24)10-25-23(27-22)26-19-8-15-12-28(2)13-16(15)9-21(19)30-3/h4-10,14H,11-13H2,1-3H3,(H,25,26,27)
InChIKeyRXXYJCKOXGLNRX-UHFFFAOYSA-N
XLogP5.08
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.93
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(5-bromo-2,3-dihydroindol-1-yl)-5-chloropyrimidin-2-yl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 155462192
(3R)-1-[5-chloro-2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimidin-4-yl]-3-methyl-2H-indole-3-carboxylic acid
CID 155462280
(3R)-1-[5-chloro-2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimidin-4-yl]-3-methyl-2H-indole-3-carboxylic acid;(3S)-1-[5-chloro-2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimidin-4-yl]-3-methyl-2H-indole-3-carboxylic acid
CID 167537849
N-[5-chloro-4-(5-dimethylphosphanyl-2,3-dihydroindol-1-yl)pyrimidin-2-yl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 175769067
1-[5-chloro-2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimidin-4-yl]-3-(hydroxymethyl)-2H-indole-3-carboxylic acid
CID 155462267
N-[5-chloro-4-[6-(difluoromethyl)-2,3-dihydroindol-1-yl]pyrimidin-2-yl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 155462223
methyl (2S)-2-[1-[5-chloro-2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimidin-4-yl]-3-methyl-2H-indol-3-yl]propanoate
CID 175235233
N-[4-(2,3-dihydroindol-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 155462268
2-[(3S)-1-[5-chloro-2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimidin-4-yl]-6-fluoro-3-methyl-2H-indol-3-yl]acetic acid
CID 155462300
2-[1-[5-chloro-2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimidin-4-yl]-5,6-difluoro-3-methyl-2H-indol-3-yl]acetic acid
CID 155462239
1-[5-chloro-2-[(5-cyclopropyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimidin-4-yl]-2,3-dihydroindole-3-carboxylic acid
CID 170029892
4-[5-chloro-2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimidin-4-yl]oxy-3-methylphenol
CID 170076545

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-(3-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-yl]-6-methoxy-2-methyl-1,3-dihydroisoindol-5-amine?
The IUPAC name of N-[5-chloro-4-(3-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-yl]-6-methoxy-2-methyl-1,3-dihydroisoindol-5-amine (CID 175826872) is N-[5-chloro-4-(3-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-yl]-6-methoxy-2-methyl-1,3-dihydroisoindol-5-amine.
What is the SMILES notation for N-[5-chloro-4-(3-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-yl]-6-methoxy-2-methyl-1,3-dihydroisoindol-5-amine?
The canonical SMILES for N-[5-chloro-4-(3-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-yl]-6-methoxy-2-methyl-1,3-dihydroisoindol-5-amine is COc1cc2c(cc1Nc1ncc(Cl)c(N3CC(C)c4ccccc43)n1)CN(C)C2.
What is the InChIKey of N-[5-chloro-4-(3-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-yl]-6-methoxy-2-methyl-1,3-dihydroisoindol-5-amine?
The InChIKey is RXXYJCKOXGLNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O/c1-14-11-29(20-7-5-4-6-17(14)20)22-18(24)10-25-23(27-22)26-19-8-15-12-28(2)13-16(15)9-21(19)30-3/h4-10,14H,11-13H2,1-3H3,(H,25,26,27).
What are the key properties of N-[5-chloro-4-(3-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-yl]-6-methoxy-2-methyl-1,3-dihydroisoindol-5-amine?
N-[5-chloro-4-(3-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-yl]-6-methoxy-2-methyl-1,3-dihydroisoindol-5-amine has a molecular weight of 421.93 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-(3-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-yl]-6-methoxy-2-methyl-1,3-dihydroisoindol-5-amine is sourced from PubChem (CID 175826872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).