6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine

C19H16ClFN6O — CID 90117468

IUPAC6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
SMILESCc1cc2c(F)c(Oc3nc(Cl)cc(Nc4cc(C5CC5)[nH]n4)n3)ccc2[nH]1
InChIInChI=1S/C19H16ClFN6O/c1-9-6-11-12(22-9)4-5-14(18(11)21)28-19-23-15(20)8-16(25-19)24-17-7-13(26-27-17)10-2-3-10/h4-8,10,22H,2-3H2,1H3,(H2,23,24,25,26,27)
InChIKeyPMYPDHVSSBJYDP-UHFFFAOYSA-N
MW398.83 g/mol
LogP5.20
Rot. Bonds5

About 6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine

6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine (PubChem CID 90117468) has the molecular formula C19H16ClFN6O and a molecular weight of 398.83 g/mol. Its IUPAC name is 6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
PubChem CID90117468
Molecular FormulaC19H16ClFN6O
Molecular Weight398.83 g/mol
Exact Mass398.11
IUPAC Name6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
SMILESCc1cc2c(F)c(Oc3nc(Cl)cc(Nc4cc(C5CC5)[nH]n4)n3)ccc2[nH]1
InChIInChI=1S/C19H16ClFN6O/c1-9-6-11-12(22-9)4-5-14(18(11)21)28-19-23-15(20)8-16(25-19)24-17-7-13(26-27-17)10-2-3-10/h4-8,10,22H,2-3H2,1H3,(H2,23,24,25,26,27)
InChIKeyPMYPDHVSSBJYDP-UHFFFAOYSA-N
XLogP5.20
TPSA91.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.83
LogP ≤ 55.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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
CID 164616025
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
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
CID 153527860
N-[2-Amino-6-chloro-4-pyrimidinyl]-N-[3-fluoro-4-(1H-indazol-5-yloxy)phenyl]amine
CID 17979350
(1-Chloro-7-fluoro-6-methoxy-isoquinolin-3-yl)-(5-cyclopropyl-1H-pyrazol-3-yl)-amine
CID 57799679
5-(4-fluoro-3-methoxyphenyl)-4-N-(5-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine
CID 67419464

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine (CID 90117468) is 6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine is Cc1cc2c(F)c(Oc3nc(Cl)cc(Nc4cc(C5CC5)[nH]n4)n3)ccc2[nH]1.
What is the InChIKey of 6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine?
The InChIKey is PMYPDHVSSBJYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN6O/c1-9-6-11-12(22-9)4-5-14(18(11)21)28-19-23-15(20)8-16(25-19)24-17-7-13(26-27-17)10-2-3-10/h4-8,10,22H,2-3H2,1H3,(H2,23,24,25,26,27).
What are the key properties of 6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine?
6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine has a molecular weight of 398.83 g/mol, XLogP of 5.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine is sourced from PubChem (CID 90117468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).