[3-[[4-[1H-indazol-4-yl(methyl)amino]pyrimidin-2-yl]amino]phenyl]methanol

C19H18N6O — CID 52941019

IUPAC[3-[[4-[1H-indazol-4-yl(methyl)amino]pyrimidin-2-yl]amino]phenyl]methanol
SMILESCN(c1ccnc(Nc2cccc(CO)c2)n1)c1cccc2[nH]ncc12
InChIInChI=1S/C19H18N6O/c1-25(17-7-3-6-16-15(17)11-21-24-16)18-8-9-20-19(23-18)22-14-5-2-4-13(10-14)12-26/h2-11,26H,12H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyKFNNEFIVNZLLBN-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.36
Rot. Bonds5

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

[3-[[4-[1H-indazol-4-yl(methyl)amino]pyrimidin-2-yl]amino]phenyl]methanol (PubChem CID 52941019) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is [3-[[4-[1H-indazol-4-yl(methyl)amino]pyrimidin-2-yl]amino]phenyl]methanol.

Molecular Properties

Compound Name[3-[[4-[1H-indazol-4-yl(methyl)amino]pyrimidin-2-yl]amino]phenyl]methanol
PubChem CID52941019
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name[3-[[4-[1H-indazol-4-yl(methyl)amino]pyrimidin-2-yl]amino]phenyl]methanol
SMILESCN(c1ccnc(Nc2cccc(CO)c2)n1)c1cccc2[nH]ncc12
InChIInChI=1S/C19H18N6O/c1-25(17-7-3-6-16-15(17)11-21-24-16)18-8-9-20-19(23-18)22-14-5-2-4-13(10-14)12-26/h2-11,26H,12H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyKFNNEFIVNZLLBN-UHFFFAOYSA-N
XLogP3.36
TPSA89.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [3-[[4-[1H-indazol-4-yl(methyl)amino]pyrimidin-2-yl]amino]phenyl]methanol with MolForge

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Related Compounds

ERK-IN-2 (free base)
CID 145925680
Trans-4-{[4-(1h-Indazol-1-Yl)pyrimidin-2-Yl]amino}cyclohexanol
CID 24957306
N2-(3,5-dimorpholinophenyl)-N4-(1H-indazol-4-yl)-N4-methylpyrimidine-2,4-diamine
CID 49831162
Pazopanib metabolite M24
CID 72942037
2-((2-((1H-Indazol-6-yl)amino)pyrimidin-4-yl)amino)benzoic acid
CID 23647264
2-{[2-(1H-indazol-5-ylamino)pyrimidin-4-yl]amino}benzoic acid
CID 23647265
3-(1h-Indazol-4-Yl{2-[(1-Methyl-1h-Indazol-5-Yl)amino]pyrimidin-4-Yl}amino)propan-1-Ol
CID 24751024
3-(6-(1H-indazol-5-ylamino)-2-morpholinopyrimidin-4-yl)phenol
CID 10475366
4-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[(E)-phenylmethoxyiminomethyl]pyrimidine-4,6-diamine
CID 17747280
[4-[(1-Benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methanol
CID 21945809
(4-[1-(3-Fluoro-benzyl)-1H-indazol-5-ylamino]-pyrrolo[2,1-f][1,2,4]triazin-5-yl}-methanol
CID 22390542
4-[[4-(1H-indazol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 24960635

Frequently Asked Questions

What is the IUPAC name of [3-[[4-[1H-indazol-4-yl(methyl)amino]pyrimidin-2-yl]amino]phenyl]methanol?
The IUPAC name of [3-[[4-[1H-indazol-4-yl(methyl)amino]pyrimidin-2-yl]amino]phenyl]methanol (CID 52941019) is [3-[[4-[1H-indazol-4-yl(methyl)amino]pyrimidin-2-yl]amino]phenyl]methanol.
What is the SMILES notation for [3-[[4-[1H-indazol-4-yl(methyl)amino]pyrimidin-2-yl]amino]phenyl]methanol?
The canonical SMILES for [3-[[4-[1H-indazol-4-yl(methyl)amino]pyrimidin-2-yl]amino]phenyl]methanol is CN(c1ccnc(Nc2cccc(CO)c2)n1)c1cccc2[nH]ncc12.
What is the InChIKey of [3-[[4-[1H-indazol-4-yl(methyl)amino]pyrimidin-2-yl]amino]phenyl]methanol?
The InChIKey is KFNNEFIVNZLLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-25(17-7-3-6-16-15(17)11-21-24-16)18-8-9-20-19(23-18)22-14-5-2-4-13(10-14)12-26/h2-11,26H,12H2,1H3,(H,21,24)(H,20,22,23).
What are the key properties of [3-[[4-[1H-indazol-4-yl(methyl)amino]pyrimidin-2-yl]amino]phenyl]methanol?
[3-[[4-[1H-indazol-4-yl(methyl)amino]pyrimidin-2-yl]amino]phenyl]methanol has a molecular weight of 346.39 g/mol, XLogP of 3.36, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-[1H-indazol-4-yl(methyl)amino]pyrimidin-2-yl]amino]phenyl]methanol is sourced from PubChem (CID 52941019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).