2-[6-fluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidine-4,6-diamine

C17H14FN7 — CID 175078410

IUPAC2-[6-fluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidine-4,6-diamine
SMILESNc1cc(N)nc(-c2nn(Cc3cccnc3)c3cc(F)ccc23)n1
InChIInChI=1S/C17H14FN7/c18-11-3-4-12-13(6-11)25(9-10-2-1-5-21-8-10)24-16(12)17-22-14(19)7-15(20)23-17/h1-8H,9H2,(H4,19,20,22,23)
InChIKeySWURWWBHJNLMEE-UHFFFAOYSA-N
MW335.35 g/mol
LogP2.24
Rot. Bonds3

About 2-[6-fluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidine-4,6-diamine

2-[6-fluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidine-4,6-diamine (PubChem CID 175078410) has the molecular formula C17H14FN7 and a molecular weight of 335.35 g/mol. Its IUPAC name is 2-[6-fluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-[6-fluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidine-4,6-diamine
PubChem CID175078410
Molecular FormulaC17H14FN7
Molecular Weight335.35 g/mol
Exact Mass335.13
IUPAC Name2-[6-fluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidine-4,6-diamine
SMILESNc1cc(N)nc(-c2nn(Cc3cccnc3)c3cc(F)ccc23)n1
InChIInChI=1S/C17H14FN7/c18-11-3-4-12-13(6-11)25(9-10-2-1-5-21-8-10)24-16(12)17-22-14(19)7-15(20)23-17/h1-8H,9H2,(H4,19,20,22,23)
InChIKeySWURWWBHJNLMEE-UHFFFAOYSA-N
XLogP2.24
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl N-[4,6-diamino-2-[6-fluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidin-5-yl]-N-methylcarbamate
CID 153407847
4-[6-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 164861697
6-amino-2-(pyridin-3-ylmethyl)pyridazin-3-one
CID 116788200
5-methyl-2-(pyridin-3-ylmethyl)pyrazol-3-amine
CID 3161320
6-bromo-3-fluoro-1-(pyridin-3-ylmethyl)pyrazolo[4,3-b]pyridine
CID 155389493
2-(pyridin-3-ylmethyl)pyrazol-3-amine
CID 1096899
2-(1-benzyl-6-fluoroindazol-3-yl)furan-3-carboxylic acid
CID 141023875
4-fluoro-2-(pyridin-3-ylmethyl)aniline
CID 105454248
4-fluoro-2-(pyridin-3-ylmethoxy)aniline
CID 16773987
methyl N-[4,6-diamino-2-[7-fluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidin-5-yl]-N-methylcarbamate
CID 153407860
5-methyl-1-(pyridin-3-ylmethyl)pyrazol-4-amine
CID 118365737
4-phenyl-2-(pyridin-3-ylmethyl)phthalazin-1-one
CID 166185401

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidine-4,6-diamine?
The IUPAC name of 2-[6-fluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidine-4,6-diamine (CID 175078410) is 2-[6-fluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-[6-fluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-[6-fluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidine-4,6-diamine is Nc1cc(N)nc(-c2nn(Cc3cccnc3)c3cc(F)ccc23)n1.
What is the InChIKey of 2-[6-fluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidine-4,6-diamine?
The InChIKey is SWURWWBHJNLMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN7/c18-11-3-4-12-13(6-11)25(9-10-2-1-5-21-8-10)24-16(12)17-22-14(19)7-15(20)23-17/h1-8H,9H2,(H4,19,20,22,23).
What are the key properties of 2-[6-fluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidine-4,6-diamine?
2-[6-fluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidine-4,6-diamine has a molecular weight of 335.35 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 175078410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).