7-fluoro-N-(oxan-4-yl)pyrimido[1,6-b]indazol-3-amine

C15H15FN4O — CID 164602573

IUPAC7-fluoro-N-(oxan-4-yl)pyrimido[1,6-b]indazol-3-amine
SMILESFc1ccc2c(c1)nn1cnc(NC3CCOCC3)cc21
InChIInChI=1S/C15H15FN4O/c16-10-1-2-12-13(7-10)19-20-9-17-15(8-14(12)20)18-11-3-5-21-6-4-11/h1-2,7-9,11,18H,3-6H2
InChIKeyDSZUFNBVIHIDBK-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.61
Rot. Bonds2

About 7-fluoro-N-(oxan-4-yl)pyrimido[1,6-b]indazol-3-amine

7-fluoro-N-(oxan-4-yl)pyrimido[1,6-b]indazol-3-amine (PubChem CID 164602573) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is 7-fluoro-N-(oxan-4-yl)pyrimido[1,6-b]indazol-3-amine.

Molecular Properties

Compound Name7-fluoro-N-(oxan-4-yl)pyrimido[1,6-b]indazol-3-amine
PubChem CID164602573
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name7-fluoro-N-(oxan-4-yl)pyrimido[1,6-b]indazol-3-amine
SMILESFc1ccc2c(c1)nn1cnc(NC3CCOCC3)cc21
InChIInChI=1S/C15H15FN4O/c16-10-1-2-12-13(7-10)19-20-9-17-15(8-14(12)20)18-11-3-5-21-6-4-11/h1-2,7-9,11,18H,3-6H2
InChIKeyDSZUFNBVIHIDBK-UHFFFAOYSA-N
XLogP2.61
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-fluoro-N-(oxan-4-yl)pyrimido[1,6-b]indazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-fluoro-N-piperidin-4-ylpyrimido[1,6-b]indazol-3-amine
CID 164602600
7-fluoro-N-(1-morpholin-4-ylsulfonylpiperidin-4-yl)quinolin-4-amine
CID 133308322
6-hydrazinyl-N-(oxan-4-yl)pyrimidin-4-amine
CID 80907012
2-N-(oxolan-3-yl)pyridine-2,4-diamine
CID 80717438
4-N-(oxan-4-yl)pyrimidine-2,4-diamine
CID 80790022
N-(2,5-difluorophenyl)oxepan-4-amine
CID 65076714
2-(oxan-4-ylamino)pyridine-4-carboxylic acid
CID 43610330
3-(2,4-difluorophenoxy)-1-(dimethylamino)-7-(oxan-4-ylamino)-1,6-naphthyridin-2-one
CID 59097233
4-(4-fluorophenyl)-5-[2-(oxan-4-ylamino)-4-pyridinyl]-1,3-dihydropyrrole-2-thione
CID 161469297
6-methyl-2-methylsulfanyl-N-(oxan-4-yl)pyrimidin-4-amine
CID 154582929
N-(1-cyclopropylsulfonylpiperidin-4-yl)-7-fluoroquinolin-4-amine
CID 133348527
6-fluoro-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]quinazolin-4-amine
CID 171359747

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(oxan-4-yl)pyrimido[1,6-b]indazol-3-amine?
The IUPAC name of 7-fluoro-N-(oxan-4-yl)pyrimido[1,6-b]indazol-3-amine (CID 164602573) is 7-fluoro-N-(oxan-4-yl)pyrimido[1,6-b]indazol-3-amine.
What is the SMILES notation for 7-fluoro-N-(oxan-4-yl)pyrimido[1,6-b]indazol-3-amine?
The canonical SMILES for 7-fluoro-N-(oxan-4-yl)pyrimido[1,6-b]indazol-3-amine is Fc1ccc2c(c1)nn1cnc(NC3CCOCC3)cc21.
What is the InChIKey of 7-fluoro-N-(oxan-4-yl)pyrimido[1,6-b]indazol-3-amine?
The InChIKey is DSZUFNBVIHIDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c16-10-1-2-12-13(7-10)19-20-9-17-15(8-14(12)20)18-11-3-5-21-6-4-11/h1-2,7-9,11,18H,3-6H2.
What are the key properties of 7-fluoro-N-(oxan-4-yl)pyrimido[1,6-b]indazol-3-amine?
7-fluoro-N-(oxan-4-yl)pyrimido[1,6-b]indazol-3-amine has a molecular weight of 286.31 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-(oxan-4-yl)pyrimido[1,6-b]indazol-3-amine is sourced from PubChem (CID 164602573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).