N-[1-(5-methyl-3-phenyl-1H-pyrrol-2-yl)ethyl]-5-[1-(2-morpholin-2-ylethyl)pyrazol-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C28H32N8O — CID 174765459

IUPACN-[1-(5-methyl-3-phenyl-1H-pyrrol-2-yl)ethyl]-5-[1-(2-morpholin-2-ylethyl)pyrazol-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc(-c2ccccc2)c(C(C)Nc2ncnc3[nH]cc(-c4ccn(CCC5CNCCO5)n4)c23)[nH]1
InChIInChI=1S/C28H32N8O/c1-18-14-22(20-6-4-3-5-7-20)26(33-18)19(2)34-28-25-23(16-30-27(25)31-17-32-28)24-9-12-36(35-24)11-8-21-15-29-10-13-37-21/h3-7,9,12,14,16-17,19,21,29,33H,8,10-11,13,15H2,1-2H3,(H2,30,31,32,34)
InChIKeySHEXZGBNYOODPA-UHFFFAOYSA-N
MW496.62 g/mol
LogP4.68
Rot. Bonds8

About N-[1-(5-methyl-3-phenyl-1H-pyrrol-2-yl)ethyl]-5-[1-(2-morpholin-2-ylethyl)pyrazol-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-[1-(5-methyl-3-phenyl-1H-pyrrol-2-yl)ethyl]-5-[1-(2-morpholin-2-ylethyl)pyrazol-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 174765459) has the molecular formula C28H32N8O and a molecular weight of 496.62 g/mol. Its IUPAC name is N-[1-(5-methyl-3-phenyl-1H-pyrrol-2-yl)ethyl]-5-[1-(2-morpholin-2-ylethyl)pyrazol-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(5-methyl-3-phenyl-1H-pyrrol-2-yl)ethyl]-5-[1-(2-morpholin-2-ylethyl)pyrazol-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID174765459
Molecular FormulaC28H32N8O
Molecular Weight496.62 g/mol
Exact Mass496.27
IUPAC NameN-[1-(5-methyl-3-phenyl-1H-pyrrol-2-yl)ethyl]-5-[1-(2-morpholin-2-ylethyl)pyrazol-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc(-c2ccccc2)c(C(C)Nc2ncnc3[nH]cc(-c4ccn(CCC5CNCCO5)n4)c23)[nH]1
InChIInChI=1S/C28H32N8O/c1-18-14-22(20-6-4-3-5-7-20)26(33-18)19(2)34-28-25-23(16-30-27(25)31-17-32-28)24-9-12-36(35-24)11-8-21-15-29-10-13-37-21/h3-7,9,12,14,16-17,19,21,29,33H,8,10-11,13,15H2,1-2H3,(H2,30,31,32,34)
InChIKeySHEXZGBNYOODPA-UHFFFAOYSA-N
XLogP4.68
TPSA108.47 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.62
LogP ≤ 54.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[1-(5-methyl-3-phenyl-1H-pyrrol-2-yl)ethyl]-5-[1-(2-morpholin-2-ylethyl)pyrazol-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

3-[3-[4-[1-(5-methyl-3-phenyl-1H-pyrrol-2-yl)ethylamino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazol-1-yl]phenol
CID 175291794
5-(2-fluorophenyl)-N-[1-(5-methyl-3-phenyl-1H-pyrrol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 174765450
2-morpholin-2-ylethanol;toluene
CID 118211589
N-[3-[4-[1-(5-methyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)ethylamino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-5-morpholin-4-ylphenyl]methanesulfonamide
CID 90102642
2-[2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]ethyl]morpholine
CID 175658986
3-methoxy-5-[4-[[(1S)-1-(5-methyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile
CID 118433930
1-methyl-N-(morpholin-2-ylmethyl)imidazol-2-amine
CID 115324160
(2R)-2-[[2-(3-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 95224109
N-methyl-N-(2-morpholin-2-ylethyl)pyridin-2-amine
CID 115239171
2-[[2-(3-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine;hydrochloride
CID 171686957
4-(2-morpholin-2-ylethyl)-1H-1,2,4-triazol-5-one
CID 130641115
2-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]morpholine
CID 116868530

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-3-phenyl-1H-pyrrol-2-yl)ethyl]-5-[1-(2-morpholin-2-ylethyl)pyrazol-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(5-methyl-3-phenyl-1H-pyrrol-2-yl)ethyl]-5-[1-(2-morpholin-2-ylethyl)pyrazol-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 174765459) is N-[1-(5-methyl-3-phenyl-1H-pyrrol-2-yl)ethyl]-5-[1-(2-morpholin-2-ylethyl)pyrazol-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(5-methyl-3-phenyl-1H-pyrrol-2-yl)ethyl]-5-[1-(2-morpholin-2-ylethyl)pyrazol-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(5-methyl-3-phenyl-1H-pyrrol-2-yl)ethyl]-5-[1-(2-morpholin-2-ylethyl)pyrazol-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1cc(-c2ccccc2)c(C(C)Nc2ncnc3[nH]cc(-c4ccn(CCC5CNCCO5)n4)c23)[nH]1.
What is the InChIKey of N-[1-(5-methyl-3-phenyl-1H-pyrrol-2-yl)ethyl]-5-[1-(2-morpholin-2-ylethyl)pyrazol-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is SHEXZGBNYOODPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N8O/c1-18-14-22(20-6-4-3-5-7-20)26(33-18)19(2)34-28-25-23(16-30-27(25)31-17-32-28)24-9-12-36(35-24)11-8-21-15-29-10-13-37-21/h3-7,9,12,14,16-17,19,21,29,33H,8,10-11,13,15H2,1-2H3,(H2,30,31,32,34).
What are the key properties of N-[1-(5-methyl-3-phenyl-1H-pyrrol-2-yl)ethyl]-5-[1-(2-morpholin-2-ylethyl)pyrazol-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[1-(5-methyl-3-phenyl-1H-pyrrol-2-yl)ethyl]-5-[1-(2-morpholin-2-ylethyl)pyrazol-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 496.62 g/mol, XLogP of 4.68, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-3-phenyl-1H-pyrrol-2-yl)ethyl]-5-[1-(2-morpholin-2-ylethyl)pyrazol-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 174765459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).