6-[2-(aminomethyl)morpholin-4-yl]-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine

C24H26F2N8O2 — CID 118446776

IUPAC6-[2-(aminomethyl)morpholin-4-yl]-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine
SMILESC/C=C/c1cc(Nc2cc(N3CCOC(CN)C3)nc(Oc3cc(F)c4[nH]c(C)cc4c3F)n2)n[nH]1
InChIInChI=1S/C24H26F2N8O2/c1-3-4-14-8-20(33-32-14)29-19-10-21(34-5-6-35-15(11-27)12-34)31-24(30-19)36-18-9-17(25)23-16(22(18)26)7-13(2)28-23/h3-4,7-10,15,28H,5-6,11-12,27H2,1-2H3,(H2,29,30,31,32,33)/b4-3+
InChIKeyBDPXHISDWPUIQV-ONEGZZNKSA-N
MW496.52 g/mol
LogP4.00
Rot. Bonds7

About 6-[2-(aminomethyl)morpholin-4-yl]-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine

6-[2-(aminomethyl)morpholin-4-yl]-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine (PubChem CID 118446776) has the molecular formula C24H26F2N8O2 and a molecular weight of 496.52 g/mol. Its IUPAC name is 6-[2-(aminomethyl)morpholin-4-yl]-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-(aminomethyl)morpholin-4-yl]-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine
PubChem CID118446776
Molecular FormulaC24H26F2N8O2
Molecular Weight496.52 g/mol
Exact Mass496.21
IUPAC Name6-[2-(aminomethyl)morpholin-4-yl]-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine
SMILESC/C=C/c1cc(Nc2cc(N3CCOC(CN)C3)nc(Oc3cc(F)c4[nH]c(C)cc4c3F)n2)n[nH]1
InChIInChI=1S/C24H26F2N8O2/c1-3-4-14-8-20(33-32-14)29-19-10-21(34-5-6-35-15(11-27)12-34)31-24(30-19)36-18-9-17(25)23-16(22(18)26)7-13(2)28-23/h3-4,7-10,15,28H,5-6,11-12,27H2,1-2H3,(H2,29,30,31,32,33)/b4-3+
InChIKeyBDPXHISDWPUIQV-ONEGZZNKSA-N
XLogP4.00
TPSA130.00 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.52
LogP ≤ 54.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 6-[2-(aminomethyl)morpholin-4-yl]-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(aminomethyl)morpholin-4-yl]-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-[2-(aminomethyl)morpholin-4-yl]-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine (CID 118446776) is 6-[2-(aminomethyl)morpholin-4-yl]-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-[2-(aminomethyl)morpholin-4-yl]-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-[2-(aminomethyl)morpholin-4-yl]-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine is C/C=C/c1cc(Nc2cc(N3CCOC(CN)C3)nc(Oc3cc(F)c4[nH]c(C)cc4c3F)n2)n[nH]1.
What is the InChIKey of 6-[2-(aminomethyl)morpholin-4-yl]-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine?
The InChIKey is BDPXHISDWPUIQV-ONEGZZNKSA-N. The full InChI is InChI=1S/C24H26F2N8O2/c1-3-4-14-8-20(33-32-14)29-19-10-21(34-5-6-35-15(11-27)12-34)31-24(30-19)36-18-9-17(25)23-16(22(18)26)7-13(2)28-23/h3-4,7-10,15,28H,5-6,11-12,27H2,1-2H3,(H2,29,30,31,32,33)/b4-3+.
What are the key properties of 6-[2-(aminomethyl)morpholin-4-yl]-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine?
6-[2-(aminomethyl)morpholin-4-yl]-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine has a molecular weight of 496.52 g/mol, XLogP of 4.00, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(aminomethyl)morpholin-4-yl]-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 118446776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).