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

C24H22FN5O — CID 135333784

IUPACN-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1H-indol-6-yl)pyrimidin-4-amine
SMILESCOc1ccc(F)c2c1cc(C)n2CCNc1cc(-c2ccc3cc[nH]c3c2)ncn1
InChIInChI=1S/C24H22FN5O/c1-15-11-18-22(31-2)6-5-19(25)24(18)30(15)10-9-27-23-13-21(28-14-29-23)17-4-3-16-7-8-26-20(16)12-17/h3-8,11-14,26H,9-10H2,1-2H3,(H,27,28,29)
InChIKeyDIHKQYXKRODDRM-UHFFFAOYSA-N
MW415.47 g/mol
LogP5.15
Rot. Bonds6

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

N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1H-indol-6-yl)pyrimidin-4-amine (PubChem CID 135333784) has the molecular formula C24H22FN5O and a molecular weight of 415.47 g/mol. Its IUPAC name is N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1H-indol-6-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1H-indol-6-yl)pyrimidin-4-amine
PubChem CID135333784
Molecular FormulaC24H22FN5O
Molecular Weight415.47 g/mol
Exact Mass415.18
IUPAC NameN-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1H-indol-6-yl)pyrimidin-4-amine
SMILESCOc1ccc(F)c2c1cc(C)n2CCNc1cc(-c2ccc3cc[nH]c3c2)ncn1
InChIInChI=1S/C24H22FN5O/c1-15-11-18-22(31-2)6-5-19(25)24(18)30(15)10-9-27-23-13-21(28-14-29-23)17-4-3-16-7-8-26-20(16)12-17/h3-8,11-14,26H,9-10H2,1-2H3,(H,27,28,29)
InChIKeyDIHKQYXKRODDRM-UHFFFAOYSA-N
XLogP5.15
TPSA67.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.47
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(6-fluoro-1H-indol-5-yl)oxy]-5-[(1E)-(methoxyimino)methyl]pyrimidin-4-amine
CID 23646052
5-[(1E)-[(cyclohexylmethoxy)imino]methyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646057
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
5-[(1E)-{[3-(dimethylamino)propoxy]imino}methyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646063
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 3234673
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
1-[3-(3-fluoro-5-methoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
CID 118057812
4-(3,4-dihydroisoquinolin-2(1H)-yl)-9-methoxy-5H-pyrimido[5,4-b]indole
CID 942804
Lut-014
CID 138319775

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1H-indol-6-yl)pyrimidin-4-amine?
The IUPAC name of N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1H-indol-6-yl)pyrimidin-4-amine (CID 135333784) is N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1H-indol-6-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1H-indol-6-yl)pyrimidin-4-amine?
The canonical SMILES for N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1H-indol-6-yl)pyrimidin-4-amine is COc1ccc(F)c2c1cc(C)n2CCNc1cc(-c2ccc3cc[nH]c3c2)ncn1.
What is the InChIKey of N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1H-indol-6-yl)pyrimidin-4-amine?
The InChIKey is DIHKQYXKRODDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O/c1-15-11-18-22(31-2)6-5-19(25)24(18)30(15)10-9-27-23-13-21(28-14-29-23)17-4-3-16-7-8-26-20(16)12-17/h3-8,11-14,26H,9-10H2,1-2H3,(H,27,28,29).
What are the key properties of N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1H-indol-6-yl)pyrimidin-4-amine?
N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1H-indol-6-yl)pyrimidin-4-amine has a molecular weight of 415.47 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1H-indol-6-yl)pyrimidin-4-amine is sourced from PubChem (CID 135333784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).