[4-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-3-yl]phenyl]methanol

C18H16N6O — CID 59024180

IUPAC[4-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-3-yl]phenyl]methanol
SMILESNc1nccc(Nc2ccc3[nH]nc(-c4ccc(CO)cc4)c3c2)n1
InChIInChI=1S/C18H16N6O/c19-18-20-8-7-16(22-18)21-13-5-6-15-14(9-13)17(24-23-15)12-3-1-11(10-25)2-4-12/h1-9,25H,10H2,(H,23,24)(H3,19,20,21,22)
InChIKeyNWVZLBZGCNXCOW-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.84
Rot. Bonds4

About [4-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-3-yl]phenyl]methanol

[4-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-3-yl]phenyl]methanol (PubChem CID 59024180) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is [4-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-3-yl]phenyl]methanol
PubChem CID59024180
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name[4-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-3-yl]phenyl]methanol
SMILESNc1nccc(Nc2ccc3[nH]nc(-c4ccc(CO)cc4)c3c2)n1
InChIInChI=1S/C18H16N6O/c19-18-20-8-7-16(22-18)21-13-5-6-15-14(9-13)17(24-23-15)12-3-1-11(10-25)2-4-12/h1-9,25H,10H2,(H,23,24)(H3,19,20,21,22)
InChIKeyNWVZLBZGCNXCOW-UHFFFAOYSA-N
XLogP2.84
TPSA112.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-3-yl]phenyl]methanol?
The IUPAC name of [4-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-3-yl]phenyl]methanol (CID 59024180) is [4-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-3-yl]phenyl]methanol.
What is the SMILES notation for [4-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-3-yl]phenyl]methanol?
The canonical SMILES for [4-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-3-yl]phenyl]methanol is Nc1nccc(Nc2ccc3[nH]nc(-c4ccc(CO)cc4)c3c2)n1.
What is the InChIKey of [4-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-3-yl]phenyl]methanol?
The InChIKey is NWVZLBZGCNXCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c19-18-20-8-7-16(22-18)21-13-5-6-15-14(9-13)17(24-23-15)12-3-1-11(10-25)2-4-12/h1-9,25H,10H2,(H,23,24)(H3,19,20,21,22).
What are the key properties of [4-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-3-yl]phenyl]methanol?
[4-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-3-yl]phenyl]methanol has a molecular weight of 332.37 g/mol, XLogP of 2.84, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-3-yl]phenyl]methanol is sourced from PubChem (CID 59024180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).