4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidine-4,6-diamine

C23H27FN8O — CID 90147095

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidine-4,6-diamine
SMILESCc1cc2c(F)c(Oc3nc(NCCN(C)C)cc(Nc4cc(C5CC5)[nH]n4)n3)ccc2[nH]1
InChIInChI=1S/C23H27FN8O/c1-13-10-15-16(26-13)6-7-18(22(15)24)33-23-28-19(25-8-9-32(2)3)12-20(29-23)27-21-11-17(30-31-21)14-4-5-14/h6-7,10-12,14,26H,4-5,8-9H2,1-3H3,(H3,25,27,28,29,30,31)
InChIKeyGJNBIWKTQJCZDE-UHFFFAOYSA-N
MW450.52 g/mol
LogP4.52
Rot. Bonds9

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidine-4,6-diamine

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidine-4,6-diamine (PubChem CID 90147095) has the molecular formula C23H27FN8O and a molecular weight of 450.52 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidine-4,6-diamine
PubChem CID90147095
Molecular FormulaC23H27FN8O
Molecular Weight450.52 g/mol
Exact Mass450.23
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidine-4,6-diamine
SMILESCc1cc2c(F)c(Oc3nc(NCCN(C)C)cc(Nc4cc(C5CC5)[nH]n4)n3)ccc2[nH]1
InChIInChI=1S/C23H27FN8O/c1-13-10-15-16(26-13)6-7-18(22(15)24)33-23-28-19(25-8-9-32(2)3)12-20(29-23)27-21-11-17(30-31-21)14-4-5-14/h6-7,10-12,14,26H,4-5,8-9H2,1-3H3,(H3,25,27,28,29,30,31)
InChIKeyGJNBIWKTQJCZDE-UHFFFAOYSA-N
XLogP4.52
TPSA106.78 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 54.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidine-4,6-diamine with MolForge

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Related Compounds

Acrizanib
CID 59394698
MLi-2
CID 78319901
N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-5-[[(6S)-6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]oxy]indole-1-carboxamide
CID 56970264
N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-5-[[(6R)-6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]oxy]indole-1-carboxamide
CID 59394091
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
CID 59394170
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
CID 59394180
5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]indole-1-carboxamide
CID 59394364
6-Methoxy-3,8-Dimethyl-4-(Piperazin-1-Yl)-1h-Pyrazolo[3,4-B]quinoline
CID 46239840
[1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-4-yl]methanamine
CID 57393964
N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
CID 56970466
5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazol-3-yl]indole-1-carboxamide
CID 59394395
5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]indole-1-carboxamide
CID 59394622

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidine-4,6-diamine (CID 90147095) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidine-4,6-diamine is Cc1cc2c(F)c(Oc3nc(NCCN(C)C)cc(Nc4cc(C5CC5)[nH]n4)n3)ccc2[nH]1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidine-4,6-diamine?
The InChIKey is GJNBIWKTQJCZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN8O/c1-13-10-15-16(26-13)6-7-18(22(15)24)33-23-28-19(25-8-9-32(2)3)12-20(29-23)27-21-11-17(30-31-21)14-4-5-14/h6-7,10-12,14,26H,4-5,8-9H2,1-3H3,(H3,25,27,28,29,30,31).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidine-4,6-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidine-4,6-diamine has a molecular weight of 450.52 g/mol, XLogP of 4.52, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidine-4,6-diamine is sourced from PubChem (CID 90147095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).