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

C24H29FN8O — CID 90147098

IUPAC6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-4-N-methylpyrimidine-4,6-diamine
SMILESCc1cc2c(F)c(Oc3nc(Nc4cc(C5CC5)[nH]n4)cc(N(C)CCN(C)C)n3)ccc2[nH]1
InChIInChI=1S/C24H29FN8O/c1-14-11-16-17(26-14)7-8-19(23(16)25)34-24-28-20(13-22(29-24)33(4)10-9-32(2)3)27-21-12-18(30-31-21)15-5-6-15/h7-8,11-13,15,26H,5-6,9-10H2,1-4H3,(H2,27,28,29,30,31)
InChIKeyAAFMEWSMCZCCSK-UHFFFAOYSA-N
MW464.55 g/mol
LogP4.54
Rot. Bonds9

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

6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-4-N-methylpyrimidine-4,6-diamine (PubChem CID 90147098) has the molecular formula C24H29FN8O and a molecular weight of 464.55 g/mol. Its IUPAC name is 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-4-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-4-N-methylpyrimidine-4,6-diamine
PubChem CID90147098
Molecular FormulaC24H29FN8O
Molecular Weight464.55 g/mol
Exact Mass464.24
IUPAC Name6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-4-N-methylpyrimidine-4,6-diamine
SMILESCc1cc2c(F)c(Oc3nc(Nc4cc(C5CC5)[nH]n4)cc(N(C)CCN(C)C)n3)ccc2[nH]1
InChIInChI=1S/C24H29FN8O/c1-14-11-16-17(26-14)7-8-19(23(16)25)34-24-28-20(13-22(29-24)33(4)10-9-32(2)3)27-21-12-18(30-31-21)15-5-6-15/h7-8,11-13,15,26H,5-6,9-10H2,1-4H3,(H2,27,28,29,30,31)
InChIKeyAAFMEWSMCZCCSK-UHFFFAOYSA-N
XLogP4.54
TPSA97.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-4-N-methylpyrimidine-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-(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
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
N-(5-propan-2-yl-1H-pyrazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
CID 59394643
5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indole-1-carboxamide
CID 59394679

Frequently Asked Questions

What is the IUPAC name of 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-4-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-4-N-methylpyrimidine-4,6-diamine (CID 90147098) is 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-4-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-4-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-4-N-methylpyrimidine-4,6-diamine is Cc1cc2c(F)c(Oc3nc(Nc4cc(C5CC5)[nH]n4)cc(N(C)CCN(C)C)n3)ccc2[nH]1.
What is the InChIKey of 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-4-N-methylpyrimidine-4,6-diamine?
The InChIKey is AAFMEWSMCZCCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN8O/c1-14-11-16-17(26-14)7-8-19(23(16)25)34-24-28-20(13-22(29-24)33(4)10-9-32(2)3)27-21-12-18(30-31-21)15-5-6-15/h7-8,11-13,15,26H,5-6,9-10H2,1-4H3,(H2,27,28,29,30,31).
What are the key properties of 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-4-N-methylpyrimidine-4,6-diamine?
6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-4-N-methylpyrimidine-4,6-diamine has a molecular weight of 464.55 g/mol, XLogP of 4.54, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-4-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 90147098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).