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

C25H28FN7O2 — CID 90147125

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCOCC1CCN(c2cc(Nc3cc(C4CC4)[nH]n3)nc(Oc3ccc4[nH]c(C)cc4c3F)n2)C1
InChIInChI=1S/C25H28FN7O2/c1-14-9-17-18(27-14)5-6-20(24(17)26)35-25-29-21(28-22-10-19(31-32-22)16-3-4-16)11-23(30-25)33-8-7-15(12-33)13-34-2/h5-6,9-11,15-16,27H,3-4,7-8,12-13H2,1-2H3,(H2,28,29,30,31,32)
InChIKeyKYFORAICLQEMPH-UHFFFAOYSA-N
MW477.54 g/mol
LogP5.01
Rot. Bonds8

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

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 90147125) has the molecular formula C25H28FN7O2 and a molecular weight of 477.54 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine
PubChem CID90147125
Molecular FormulaC25H28FN7O2
Molecular Weight477.54 g/mol
Exact Mass477.23
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCOCC1CCN(c2cc(Nc3cc(C4CC4)[nH]n3)nc(Oc3ccc4[nH]c(C)cc4c3F)n2)C1
InChIInChI=1S/C25H28FN7O2/c1-14-9-17-18(27-14)5-6-20(24(17)26)35-25-29-21(28-22-10-19(31-32-22)16-3-4-16)11-23(30-25)33-8-7-15(12-33)13-34-2/h5-6,9-11,15-16,27H,3-4,7-8,12-13H2,1-2H3,(H2,28,29,30,31,32)
InChIKeyKYFORAICLQEMPH-UHFFFAOYSA-N
XLogP5.01
TPSA103.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.54
LogP ≤ 55.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(1E)-{[2-(pyrrolidin-1-yl)ethoxy]imino}methyl]pyrimidin-4-amine
CID 23646061
5-[(1E)-{[3-(dimethylamino)propoxy]imino}methyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646063
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
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
5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indole-1-carboxamide
CID 59394679
5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)indole-1-carboxamide
CID 59394764
(2R)-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methoxyquinazolin-2-yl]amino]-2-(4-fluorophenyl)ethanol
CID 68900617
4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine
CID 78323982
[1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-3-yl]methanol
CID 46239124
6-methoxy-3,8-dimethyl-N-[2-(oxan-4-yl)ethyl]-2H-pyrazolo[3,4-b]quinolin-4-amine
CID 46239126

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine (CID 90147125) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine is COCC1CCN(c2cc(Nc3cc(C4CC4)[nH]n3)nc(Oc3ccc4[nH]c(C)cc4c3F)n2)C1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine?
The InChIKey is KYFORAICLQEMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN7O2/c1-14-9-17-18(27-14)5-6-20(24(17)26)35-25-29-21(28-22-10-19(31-32-22)16-3-4-16)11-23(30-25)33-8-7-15(12-33)13-34-2/h5-6,9-11,15-16,27H,3-4,7-8,12-13H2,1-2H3,(H2,28,29,30,31,32).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine has a molecular weight of 477.54 g/mol, XLogP of 5.01, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 90147125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).