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

C26H31FN8O2 — CID 90147110

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCOCCN1CCN(c2cc(Nc3cc(C4CC4)[nH]n3)nc(Oc3ccc4[nH]c(C)cc4c3F)n2)CC1
InChIInChI=1S/C26H31FN8O2/c1-16-13-18-19(28-16)5-6-21(25(18)27)37-26-30-22(29-23-14-20(32-33-23)17-3-4-17)15-24(31-26)35-9-7-34(8-10-35)11-12-36-2/h5-6,13-15,17,28H,3-4,7-12H2,1-2H3,(H2,29,30,31,32,33)
InChIKeyPZAJTEKMAGSTLN-UHFFFAOYSA-N
MW506.59 g/mol
LogP4.31
Rot. Bonds9

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

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 90147110) has the molecular formula C26H31FN8O2 and a molecular weight of 506.59 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[4-(2-methoxyethyl)piperazin-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-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-amine
PubChem CID90147110
Molecular FormulaC26H31FN8O2
Molecular Weight506.59 g/mol
Exact Mass506.26
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCOCCN1CCN(c2cc(Nc3cc(C4CC4)[nH]n3)nc(Oc3ccc4[nH]c(C)cc4c3F)n2)CC1
InChIInChI=1S/C26H31FN8O2/c1-16-13-18-19(28-16)5-6-21(25(18)27)37-26-30-22(29-23-14-20(32-33-23)17-3-4-17)15-24(31-26)35-9-7-34(8-10-35)11-12-36-2/h5-6,13-15,17,28H,3-4,7-12H2,1-2H3,(H2,29,30,31,32,33)
InChIKeyPZAJTEKMAGSTLN-UHFFFAOYSA-N
XLogP4.31
TPSA107.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.59
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

6-Methoxy-3,8-Dimethyl-4-(Morpholin-4-Ylmethyl)-1h-Pyrazolo[3,4-B]quinoline
CID 44243146
MLi-2
CID 78319901
6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(1E)-{[2-(morpholin-4-yl)ethoxy]imino}methyl]pyrimidin-4-amine
CID 23646062
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
6-Methoxy-3,8-Dimethyl-4-(Piperazin-1-Yl)-1h-Pyrazolo[3,4-B]quinoline
CID 46239840
4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methyl-6-(3-(piperidin-1-yl)propoxy)pyrrolo[2,1-f][1,2,4]triazine
CID 11575755
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
6-{2-amino-6-[(3R)-3-ethyl-4-morpholinyl]-4-pyrimidinyl}-4-(methyloxy)-1H-indazol-3-amine
CID 58504384
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

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-[4-(2-methoxyethyl)piperazin-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-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-amine (CID 90147110) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[4-(2-methoxyethyl)piperazin-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-[4-(2-methoxyethyl)piperazin-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-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-amine is COCCN1CCN(c2cc(Nc3cc(C4CC4)[nH]n3)nc(Oc3ccc4[nH]c(C)cc4c3F)n2)CC1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is PZAJTEKMAGSTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN8O2/c1-16-13-18-19(28-16)5-6-21(25(18)27)37-26-30-22(29-23-14-20(32-33-23)17-3-4-17)15-24(31-26)35-9-7-34(8-10-35)11-12-36-2/h5-6,13-15,17,28H,3-4,7-12H2,1-2H3,(H2,29,30,31,32,33).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-amine?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 506.59 g/mol, XLogP of 4.31, 9 rotatable bonds, 3 hydrogen bond donors, and 8 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-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 90147110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).