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

C23H26FN7O — CID 90147119

IUPAC6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N,4-N-diethyl-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidine-4,6-diamine
SMILESCCN(CC)c1cc(Nc2cc(C3CC3)[nH]n2)nc(Oc2ccc3[nH]c(C)cc3c2F)n1
InChIInChI=1S/C23H26FN7O/c1-4-31(5-2)21-12-19(26-20-11-17(29-30-20)14-6-7-14)27-23(28-21)32-18-9-8-16-15(22(18)24)10-13(3)25-16/h8-12,14,25H,4-7H2,1-3H3,(H2,26,27,28,29,30)
InChIKeyBBURZLSCJGKJPU-UHFFFAOYSA-N
MW435.51 g/mol
LogP5.39
Rot. Bonds8

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

6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N,4-N-diethyl-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidine-4,6-diamine (PubChem CID 90147119) has the molecular formula C23H26FN7O and a molecular weight of 435.51 g/mol. Its IUPAC name is 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N,4-N-diethyl-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N,4-N-diethyl-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidine-4,6-diamine
PubChem CID90147119
Molecular FormulaC23H26FN7O
Molecular Weight435.51 g/mol
Exact Mass435.22
IUPAC Name6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N,4-N-diethyl-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidine-4,6-diamine
SMILESCCN(CC)c1cc(Nc2cc(C3CC3)[nH]n2)nc(Oc2ccc3[nH]c(C)cc3c2F)n1
InChIInChI=1S/C23H26FN7O/c1-4-31(5-2)21-12-19(26-20-11-17(29-30-20)14-6-7-14)27-23(28-21)32-18-9-8-16-15(22(18)24)10-13(3)25-16/h8-12,14,25H,4-7H2,1-3H3,(H2,26,27,28,29,30)
InChIKeyBBURZLSCJGKJPU-UHFFFAOYSA-N
XLogP5.39
TPSA94.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.51
LogP ≤ 55.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

MLi-2
CID 78319901
6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(1E)-{[2-(pyrrolidin-1-yl)ethoxy]imino}methyl]pyrimidin-4-amine
CID 23646061
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-amine
CID 46239329
[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
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,4-N-diethyl-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N,4-N-diethyl-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidine-4,6-diamine (CID 90147119) is 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N,4-N-diethyl-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N,4-N-diethyl-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N,4-N-diethyl-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidine-4,6-diamine is CCN(CC)c1cc(Nc2cc(C3CC3)[nH]n2)nc(Oc2ccc3[nH]c(C)cc3c2F)n1.
What is the InChIKey of 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N,4-N-diethyl-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidine-4,6-diamine?
The InChIKey is BBURZLSCJGKJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN7O/c1-4-31(5-2)21-12-19(26-20-11-17(29-30-20)14-6-7-14)27-23(28-21)32-18-9-8-16-15(22(18)24)10-13(3)25-16/h8-12,14,25H,4-7H2,1-3H3,(H2,26,27,28,29,30).
What are the key properties of 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N,4-N-diethyl-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidine-4,6-diamine?
6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N,4-N-diethyl-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidine-4,6-diamine has a molecular weight of 435.51 g/mol, XLogP of 5.39, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N,4-N-diethyl-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidine-4,6-diamine is sourced from PubChem (CID 90147119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).