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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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).