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

C23H26ClFN8O — CID 90431558

IUPAC2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-6-[4-(2-fluoroethyl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCc1cc(Nc2cc(N3CCN(CCF)CC3)nc(Oc3ccc4[nH]c(C)cc4c3Cl)n2)n[nH]1
InChIInChI=1S/C23H26ClFN8O/c1-14-11-16-17(26-14)3-4-18(22(16)24)34-23-28-19(27-20-12-15(2)30-31-20)13-21(29-23)33-9-7-32(6-5-25)8-10-33/h3-4,11-13,26H,5-10H2,1-2H3,(H2,27,28,29,30,31)
InChIKeyLZSRCNKMBKTICC-UHFFFAOYSA-N
MW484.97 g/mol
LogP4.58
Rot. Bonds7

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

2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-6-[4-(2-fluoroethyl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (PubChem CID 90431558) has the molecular formula C23H26ClFN8O and a molecular weight of 484.97 g/mol. Its IUPAC name is 2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-6-[4-(2-fluoroethyl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-6-[4-(2-fluoroethyl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
PubChem CID90431558
Molecular FormulaC23H26ClFN8O
Molecular Weight484.97 g/mol
Exact Mass484.19
IUPAC Name2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-6-[4-(2-fluoroethyl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCc1cc(Nc2cc(N3CCN(CCF)CC3)nc(Oc3ccc4[nH]c(C)cc4c3Cl)n2)n[nH]1
InChIInChI=1S/C23H26ClFN8O/c1-14-11-16-17(26-14)3-4-18(22(16)24)34-23-28-19(27-20-12-15(2)30-31-20)13-21(29-23)33-9-7-32(6-5-25)8-10-33/h3-4,11-13,26H,5-10H2,1-2H3,(H2,27,28,29,30,31)
InChIKeyLZSRCNKMBKTICC-UHFFFAOYSA-N
XLogP4.58
TPSA97.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.97
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-6-[4-(2-fluoroethyl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine with MolForge

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Related Compounds

4-[(3-Chloro-4-methoxy-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),3,5,9,11,13-heptaen-14-yl)methyl]phenol
CID 135440116
US10280171, Example 27
CID 132166928
US10280171, Example 50
CID 132167017
US10172858, Table 2.22
CID 135911766
Indol-5-ol derivative 1
CID 74221651
US12404261, Example 79
CID 164549140
US10172858, Table 2.29
CID 136088578
4-N-[3-chloro-4-(1H-indazol-5-yloxy)phenyl]-6-(4-fluorophenyl)pyrimidine-2,4-diamine
CID 58733279
4-N-[4-[(3-amino-1H-indazol-4-yl)oxy]-3-chlorophenyl]-6-(4-fluorophenyl)pyrimidine-2,4-diamine
CID 58733312
4-N-[4-[(3-amino-1H-indazol-6-yl)oxy]-3-chlorophenyl]-6-(4-fluorophenyl)pyrimidine-2,4-diamine
CID 58733317
2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine
CID 78427433
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 78427434

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-6-[4-(2-fluoroethyl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-6-[4-(2-fluoroethyl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (CID 90431558) is 2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-6-[4-(2-fluoroethyl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-6-[4-(2-fluoroethyl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-6-[4-(2-fluoroethyl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is Cc1cc(Nc2cc(N3CCN(CCF)CC3)nc(Oc3ccc4[nH]c(C)cc4c3Cl)n2)n[nH]1.
What is the InChIKey of 2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-6-[4-(2-fluoroethyl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is LZSRCNKMBKTICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN8O/c1-14-11-16-17(26-14)3-4-18(22(16)24)34-23-28-19(27-20-12-15(2)30-31-20)13-21(29-23)33-9-7-32(6-5-25)8-10-33/h3-4,11-13,26H,5-10H2,1-2H3,(H2,27,28,29,30,31).
What are the key properties of 2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-6-[4-(2-fluoroethyl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-6-[4-(2-fluoroethyl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 484.97 g/mol, XLogP of 4.58, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-6-[4-(2-fluoroethyl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 90431558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).