6-chloro-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine

C19H15ClF2N6O — CID 90117515

IUPAC6-chloro-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine
SMILESC/C=C/c1cc(Nc2cc(Cl)nc(Oc3cc(F)c4[nH]c(C)cc4c3F)n2)n[nH]1
InChIInChI=1S/C19H15ClF2N6O/c1-3-4-10-6-16(28-27-10)25-15-8-14(20)24-19(26-15)29-13-7-12(21)18-11(17(13)22)5-9(2)23-18/h3-8,23H,1-2H3,(H2,24,25,26,27,28)/b4-3+
InChIKeyMWPMUYOZVPSHHY-ONEGZZNKSA-N
MW416.82 g/mol
LogP5.49
Rot. Bonds5

About 6-chloro-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine

6-chloro-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine (PubChem CID 90117515) has the molecular formula C19H15ClF2N6O and a molecular weight of 416.82 g/mol. Its IUPAC name is 6-chloro-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine
PubChem CID90117515
Molecular FormulaC19H15ClF2N6O
Molecular Weight416.82 g/mol
Exact Mass416.10
IUPAC Name6-chloro-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine
SMILESC/C=C/c1cc(Nc2cc(Cl)nc(Oc3cc(F)c4[nH]c(C)cc4c3F)n2)n[nH]1
InChIInChI=1S/C19H15ClF2N6O/c1-3-4-10-6-16(28-27-10)25-15-8-14(20)24-19(26-15)29-13-7-12(21)18-11(17(13)22)5-9(2)23-18/h3-8,23H,1-2H3,(H2,24,25,26,27,28)/b4-3+
InChIKeyMWPMUYOZVPSHHY-ONEGZZNKSA-N
XLogP5.49
TPSA91.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.82
LogP ≤ 55.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine with MolForge

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Related Compounds

4-N-(5-ethyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-methoxyquinazoline-2,4-diamine
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4-N-(5-ethyl-1H-pyrazol-3-yl)-2-N-[2-(4-fluorophenyl)ethyl]-6-methoxyquinazoline-2,4-diamine
CID 164627666
4-Chloro-6-methoxy-3-methyl-1H-pyrazolo[3,4-b]quinoline
CID 510448
6-methoxy-1H-pyrazolo[3,4-b]quinolin-3-amine
CID 667630
US10172858, Table 2.14
CID 135911763
US10172858, Table 2.5
CID 135911754
Indol-5-ol derivative 1
CID 74221651
1-tert-butyl-3-(5-methoxy-1H-indol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 162662322
US10172858, Table 2.13
CID 135911762
3-Hydrazinyl-8-methoxy-5h-[1,2,4]triazino[5,6-b]indole
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N-(2,4-difluorophenyl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine
CID 11696024
N-[2-Amino-6-chloro-4-pyrimidinyl]-N-[3-fluoro-4-(1H-indazol-5-yloxy)phenyl]amine
CID 17979350

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine (CID 90117515) is 6-chloro-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine is C/C=C/c1cc(Nc2cc(Cl)nc(Oc3cc(F)c4[nH]c(C)cc4c3F)n2)n[nH]1.
What is the InChIKey of 6-chloro-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine?
The InChIKey is MWPMUYOZVPSHHY-ONEGZZNKSA-N. The full InChI is InChI=1S/C19H15ClF2N6O/c1-3-4-10-6-16(28-27-10)25-15-8-14(20)24-19(26-15)29-13-7-12(21)18-11(17(13)22)5-9(2)23-18/h3-8,23H,1-2H3,(H2,24,25,26,27,28)/b4-3+.
What are the key properties of 6-chloro-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine?
6-chloro-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine has a molecular weight of 416.82 g/mol, XLogP of 5.49, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 90117515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).