N-[(1S)-1-(6-fluoro-1-pyridin-3-ylindazol-3-yl)propyl]-7H-purin-6-amine

C20H17FN8 — CID 147425633

IUPACN-[(1S)-1-(6-fluoro-1-pyridin-3-ylindazol-3-yl)propyl]-7H-purin-6-amine
SMILESCC[C@H](Nc1ncnc2nc[nH]c12)c1nn(-c2cccnc2)c2cc(F)ccc12
InChIInChI=1S/C20H17FN8/c1-2-15(27-20-18-19(24-10-23-18)25-11-26-20)17-14-6-5-12(21)8-16(14)29(28-17)13-4-3-7-22-9-13/h3-11,15H,2H2,1H3,(H2,23,24,25,26,27)/t15-/m0/s1
InChIKeyDTILFNMDSXNYCF-HNNXBMFYSA-N
MW388.41 g/mol
LogP3.79
Rot. Bonds5

About N-[(1S)-1-(6-fluoro-1-pyridin-3-ylindazol-3-yl)propyl]-7H-purin-6-amine

N-[(1S)-1-(6-fluoro-1-pyridin-3-ylindazol-3-yl)propyl]-7H-purin-6-amine (PubChem CID 147425633) has the molecular formula C20H17FN8 and a molecular weight of 388.41 g/mol. Its IUPAC name is N-[(1S)-1-(6-fluoro-1-pyridin-3-ylindazol-3-yl)propyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(1S)-1-(6-fluoro-1-pyridin-3-ylindazol-3-yl)propyl]-7H-purin-6-amine
PubChem CID147425633
Molecular FormulaC20H17FN8
Molecular Weight388.41 g/mol
Exact Mass388.16
IUPAC NameN-[(1S)-1-(6-fluoro-1-pyridin-3-ylindazol-3-yl)propyl]-7H-purin-6-amine
SMILESCC[C@H](Nc1ncnc2nc[nH]c12)c1nn(-c2cccnc2)c2cc(F)ccc12
InChIInChI=1S/C20H17FN8/c1-2-15(27-20-18-19(24-10-23-18)25-11-26-20)17-14-6-5-12(21)8-16(14)29(28-17)13-4-3-7-22-9-13/h3-11,15H,2H2,1H3,(H2,23,24,25,26,27)/t15-/m0/s1
InChIKeyDTILFNMDSXNYCF-HNNXBMFYSA-N
XLogP3.79
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine
CID 155223231
2-(3,5-difluorophenyl)-7-fluoro-3-[(1R)-1-(7H-purin-6-ylamino)propyl]isoquinolin-1-one
CID 118043775
2-(3,5-dichlorophenyl)-7-fluoro-3-[(1R)-1-(7H-purin-6-ylamino)propyl]isoquinolin-1-one
CID 118044235
2,4-diamino-6-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)propylamino]pyrimidine-5-carbonitrile
CID 155223185
7-fluoro-2-(2-methylphenyl)-3-[(1S)-1-(7H-purin-6-ylamino)propyl]isoquinolin-1-one
CID 144835336
2-(4-fluorophenyl)-8-methyl-3-[1-(7H-purin-6-ylamino)propyl]isoquinolin-1-one
CID 58008757
2-(2,3-dimethylphenyl)-7-fluoro-3-[(1S)-1-(7H-purin-6-ylamino)propyl]isoquinolin-1-one
CID 122501889
N-[1-[1-(3-fluorophenyl)-3-methylindol-2-yl]ethyl]-7H-purin-6-amine
CID 54767321
3-(3-fluorophenyl)-2-[(1S)-1-(7H-purin-6-ylamino)propyl]chromen-4-one;hydrobromide
CID 168966366
1-[1-[6-fluoro-1-(3-fluorophenyl)indazol-3-yl]ethyl]-7H-purin-6-imine
CID 155664702
5-chloro-6-fluoro-3-(3-fluorophenyl)-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4-one
CID 118044336
3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]imidazo[2,1-f][1,2,4]triazin-4-one
CID 71466532

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(6-fluoro-1-pyridin-3-ylindazol-3-yl)propyl]-7H-purin-6-amine?
The IUPAC name of N-[(1S)-1-(6-fluoro-1-pyridin-3-ylindazol-3-yl)propyl]-7H-purin-6-amine (CID 147425633) is N-[(1S)-1-(6-fluoro-1-pyridin-3-ylindazol-3-yl)propyl]-7H-purin-6-amine.
What is the SMILES notation for N-[(1S)-1-(6-fluoro-1-pyridin-3-ylindazol-3-yl)propyl]-7H-purin-6-amine?
The canonical SMILES for N-[(1S)-1-(6-fluoro-1-pyridin-3-ylindazol-3-yl)propyl]-7H-purin-6-amine is CC[C@H](Nc1ncnc2nc[nH]c12)c1nn(-c2cccnc2)c2cc(F)ccc12.
What is the InChIKey of N-[(1S)-1-(6-fluoro-1-pyridin-3-ylindazol-3-yl)propyl]-7H-purin-6-amine?
The InChIKey is DTILFNMDSXNYCF-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H17FN8/c1-2-15(27-20-18-19(24-10-23-18)25-11-26-20)17-14-6-5-12(21)8-16(14)29(28-17)13-4-3-7-22-9-13/h3-11,15H,2H2,1H3,(H2,23,24,25,26,27)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(6-fluoro-1-pyridin-3-ylindazol-3-yl)propyl]-7H-purin-6-amine?
N-[(1S)-1-(6-fluoro-1-pyridin-3-ylindazol-3-yl)propyl]-7H-purin-6-amine has a molecular weight of 388.41 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(6-fluoro-1-pyridin-3-ylindazol-3-yl)propyl]-7H-purin-6-amine is sourced from PubChem (CID 147425633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).