N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(7H-purin-6-ylamino)propanamide

C18H18FN7O — CID 42507459

IUPACN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(7H-purin-6-ylamino)propanamide
SMILESO=C(CCNc1ncnc2nc[nH]c12)NCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C18H18FN7O/c19-12-1-2-14-13(7-12)11(8-22-14)3-5-20-15(27)4-6-21-17-16-18(24-9-23-16)26-10-25-17/h1-2,7-10,22H,3-6H2,(H,20,27)(H2,21,23,24,25,26)
InChIKeyUCDVACVFNFMBPR-UHFFFAOYSA-N
MW367.39 g/mol
LogP2.13
Rot. Bonds7

About N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(7H-purin-6-ylamino)propanamide

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(7H-purin-6-ylamino)propanamide (PubChem CID 42507459) has the molecular formula C18H18FN7O and a molecular weight of 367.39 g/mol. Its IUPAC name is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(7H-purin-6-ylamino)propanamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(7H-purin-6-ylamino)propanamide
PubChem CID42507459
Molecular FormulaC18H18FN7O
Molecular Weight367.39 g/mol
Exact Mass367.16
IUPAC NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(7H-purin-6-ylamino)propanamide
SMILESO=C(CCNc1ncnc2nc[nH]c12)NCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C18H18FN7O/c19-12-1-2-14-13(7-12)11(8-22-14)3-5-20-15(27)4-6-21-17-16-18(24-9-23-16)26-10-25-17/h1-2,7-10,22H,3-6H2,(H,20,27)(H2,21,23,24,25,26)
InChIKeyUCDVACVFNFMBPR-UHFFFAOYSA-N
XLogP2.13
TPSA111.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 52.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-propyl-3-(7H-purin-6-ylamino)propanamide
CID 47299148
2-(3-fluorophenyl)-N-[2-(7H-purin-6-ylamino)ethyl]acetamide
CID 51102003
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenoxypropanamide
CID 110731483
3-(7H-purin-6-ylamino)-N-(pyridin-2-ylmethyl)propanamide
CID 42537147
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 110731491
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111424366
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-propan-2-ylphenyl)propanamide
CID 4973985
methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110731485
3-(5-fluoro-1H-indol-3-yl)propanoic acid
CID 10899794
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-7H-purin-6-amine
CID 39801917
N-(3-imidazol-1-ylpropyl)-3-(7H-purin-6-ylamino)propanamide
CID 42536499

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(7H-purin-6-ylamino)propanamide?
The IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(7H-purin-6-ylamino)propanamide (CID 42507459) is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(7H-purin-6-ylamino)propanamide.
What is the SMILES notation for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(7H-purin-6-ylamino)propanamide?
The canonical SMILES for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(7H-purin-6-ylamino)propanamide is O=C(CCNc1ncnc2nc[nH]c12)NCCc1c[nH]c2ccc(F)cc12.
What is the InChIKey of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(7H-purin-6-ylamino)propanamide?
The InChIKey is UCDVACVFNFMBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN7O/c19-12-1-2-14-13(7-12)11(8-22-14)3-5-20-15(27)4-6-21-17-16-18(24-9-23-16)26-10-25-17/h1-2,7-10,22H,3-6H2,(H,20,27)(H2,21,23,24,25,26).
What are the key properties of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(7H-purin-6-ylamino)propanamide?
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(7H-purin-6-ylamino)propanamide has a molecular weight of 367.39 g/mol, XLogP of 2.13, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(7H-purin-6-ylamino)propanamide is sourced from PubChem (CID 42507459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).