N-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1H-indol-6-yl)pyrimidin-4-amine

C24H21F2N5O — CID 135333438

IUPACN-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1H-indol-6-yl)pyrimidin-4-amine
SMILESCOc1cc(F)c(F)c2c1cc(C)n2CCNc1cc(-c2ccc3cc[nH]c3c2)ncn1
InChIInChI=1S/C24H21F2N5O/c1-14-9-17-21(32-2)11-18(25)23(26)24(17)31(14)8-7-28-22-12-20(29-13-30-22)16-4-3-15-5-6-27-19(15)10-16/h3-6,9-13,27H,7-8H2,1-2H3,(H,28,29,30)
InChIKeyKYYGSOVKJCFDHX-UHFFFAOYSA-N
MW433.46 g/mol
LogP5.29
Rot. Bonds6

About N-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1H-indol-6-yl)pyrimidin-4-amine

N-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1H-indol-6-yl)pyrimidin-4-amine (PubChem CID 135333438) has the molecular formula C24H21F2N5O and a molecular weight of 433.46 g/mol. Its IUPAC name is N-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1H-indol-6-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1H-indol-6-yl)pyrimidin-4-amine
PubChem CID135333438
Molecular FormulaC24H21F2N5O
Molecular Weight433.46 g/mol
Exact Mass433.17
IUPAC NameN-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1H-indol-6-yl)pyrimidin-4-amine
SMILESCOc1cc(F)c(F)c2c1cc(C)n2CCNc1cc(-c2ccc3cc[nH]c3c2)ncn1
InChIInChI=1S/C24H21F2N5O/c1-14-9-17-21(32-2)11-18(25)23(26)24(17)31(14)8-7-28-22-12-20(29-13-30-22)16-4-3-15-5-6-27-19(15)10-16/h3-6,9-13,27H,7-8H2,1-2H3,(H,28,29,30)
InChIKeyKYYGSOVKJCFDHX-UHFFFAOYSA-N
XLogP5.29
TPSA67.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.46
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Raf265
CID 11656518
5-[(1E)-[(benzyloxy)imino]methyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646058
6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(1E)-{[2-(pyrrolidin-1-yl)ethoxy]imino}methyl]pyrimidin-4-amine
CID 23646061
3-{1-[2-(1H-Indol-4-yloxy)-ethyl]-1,2,3,6-tetrahydro-pyridin-4-yl}-1H-pyrrolo[2,3-b]pyridine
CID 9820163
N-(3-tert-butylphenyl)-1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxybenzimidazol-2-amine
CID 16064750
5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-(3-(trifluoromethyl)phenyl)-1H-indole-1-carboxamide
CID 59394429
4-(3,4-dihydroisoquinolin-2(1H)-yl)-9-methoxy-5H-pyrimido[5,4-b]indole
CID 942804
Lut-014
CID 138319775
6-(5-methoxy-1-methyl-1H-indol-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 9860448
7-(5-ethoxy-1H-indol-4-yl)-6-methylquinazoline-2,4-diamine
CID 56676461
7-benzyl-4-N-(4-methoxyphenyl)-4-N-methyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 137661858
6-[2-(difluoromethoxy)phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 162648476

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1H-indol-6-yl)pyrimidin-4-amine?
The IUPAC name of N-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1H-indol-6-yl)pyrimidin-4-amine (CID 135333438) is N-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1H-indol-6-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1H-indol-6-yl)pyrimidin-4-amine?
The canonical SMILES for N-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1H-indol-6-yl)pyrimidin-4-amine is COc1cc(F)c(F)c2c1cc(C)n2CCNc1cc(-c2ccc3cc[nH]c3c2)ncn1.
What is the InChIKey of N-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1H-indol-6-yl)pyrimidin-4-amine?
The InChIKey is KYYGSOVKJCFDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O/c1-14-9-17-21(32-2)11-18(25)23(26)24(17)31(14)8-7-28-22-12-20(29-13-30-22)16-4-3-15-5-6-27-19(15)10-16/h3-6,9-13,27H,7-8H2,1-2H3,(H,28,29,30).
What are the key properties of N-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1H-indol-6-yl)pyrimidin-4-amine?
N-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1H-indol-6-yl)pyrimidin-4-amine has a molecular weight of 433.46 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1H-indol-6-yl)pyrimidin-4-amine is sourced from PubChem (CID 135333438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).