N-(7-fluoro-2-methylindazol-5-yl)-5-methoxy-7-methylpyrido[4,3-d]pyrimidin-4-amine

C17H15FN6O — CID 176567417

IUPACN-(7-fluoro-2-methylindazol-5-yl)-5-methoxy-7-methylpyrido[4,3-d]pyrimidin-4-amine
SMILESCOc1nc(C)cc2ncnc(Nc3cc(F)c4nn(C)cc4c3)c12
InChIInChI=1S/C17H15FN6O/c1-9-4-13-14(17(21-9)25-3)16(20-8-19-13)22-11-5-10-7-24(2)23-15(10)12(18)6-11/h4-8H,1-3H3,(H,19,20,22)
InChIKeyNVVTTYXVOXRSMQ-UHFFFAOYSA-N
MW338.35 g/mol
LogP3.11
Rot. Bonds3

About N-(7-fluoro-2-methylindazol-5-yl)-5-methoxy-7-methylpyrido[4,3-d]pyrimidin-4-amine

N-(7-fluoro-2-methylindazol-5-yl)-5-methoxy-7-methylpyrido[4,3-d]pyrimidin-4-amine (PubChem CID 176567417) has the molecular formula C17H15FN6O and a molecular weight of 338.35 g/mol. Its IUPAC name is N-(7-fluoro-2-methylindazol-5-yl)-5-methoxy-7-methylpyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(7-fluoro-2-methylindazol-5-yl)-5-methoxy-7-methylpyrido[4,3-d]pyrimidin-4-amine
PubChem CID176567417
Molecular FormulaC17H15FN6O
Molecular Weight338.35 g/mol
Exact Mass338.13
IUPAC NameN-(7-fluoro-2-methylindazol-5-yl)-5-methoxy-7-methylpyrido[4,3-d]pyrimidin-4-amine
SMILESCOc1nc(C)cc2ncnc(Nc3cc(F)c4nn(C)cc4c3)c12
InChIInChI=1S/C17H15FN6O/c1-9-4-13-14(17(21-9)25-3)16(20-8-19-13)22-11-5-10-7-24(2)23-15(10)12(18)6-11/h4-8H,1-3H3,(H,19,20,22)
InChIKeyNVVTTYXVOXRSMQ-UHFFFAOYSA-N
XLogP3.11
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)quinazolin-4-amine
CID 176567187
6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)-4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-amine
CID 176566909
8-cyclopropyl-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)isoquinolin-1-amine
CID 176567493
N-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-fluoro-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine
CID 176566226
N-[4-chloro-6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine
CID 176567106
4-chloro-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)-1,2-benzoxazol-3-amine
CID 176565980
ethane;7-fluoro-2,5-dimethylindazole;2,5,7-trimethylindazole
CID 156888629
N-[4-(difluoromethyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine
CID 176566734
5-fluoro-N-(3-methoxyphenyl)quinazolin-4-amine
CID 141103872
N-(3,4-difluorophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110434946
N-[4-cyclopropyl-6-(3-methylpiperazin-1-yl)-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine
CID 176567167
N-[[(2S,6R)-1,6-dimethylpiperazin-2-yl]methyl]-7-fluoro-2-methylindazol-5-amine
CID 176566654

Frequently Asked Questions

What is the IUPAC name of N-(7-fluoro-2-methylindazol-5-yl)-5-methoxy-7-methylpyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-(7-fluoro-2-methylindazol-5-yl)-5-methoxy-7-methylpyrido[4,3-d]pyrimidin-4-amine (CID 176567417) is N-(7-fluoro-2-methylindazol-5-yl)-5-methoxy-7-methylpyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(7-fluoro-2-methylindazol-5-yl)-5-methoxy-7-methylpyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(7-fluoro-2-methylindazol-5-yl)-5-methoxy-7-methylpyrido[4,3-d]pyrimidin-4-amine is COc1nc(C)cc2ncnc(Nc3cc(F)c4nn(C)cc4c3)c12.
What is the InChIKey of N-(7-fluoro-2-methylindazol-5-yl)-5-methoxy-7-methylpyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is NVVTTYXVOXRSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6O/c1-9-4-13-14(17(21-9)25-3)16(20-8-19-13)22-11-5-10-7-24(2)23-15(10)12(18)6-11/h4-8H,1-3H3,(H,19,20,22).
What are the key properties of N-(7-fluoro-2-methylindazol-5-yl)-5-methoxy-7-methylpyrido[4,3-d]pyrimidin-4-amine?
N-(7-fluoro-2-methylindazol-5-yl)-5-methoxy-7-methylpyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 338.35 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-fluoro-2-methylindazol-5-yl)-5-methoxy-7-methylpyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 176567417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).