[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]methanol

C26H28FN5O — CID 123836971

IUPAC[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]methanol
SMILESCc1cc(-c2n[nH]c3ccc(C(O)NC4CCCN(Cc5ccccc5F)C4)cc23)ccn1
InChIInChI=1S/C26H28FN5O/c1-17-13-18(10-11-28-17)25-22-14-19(8-9-24(22)30-31-25)26(33)29-21-6-4-12-32(16-21)15-20-5-2-3-7-23(20)27/h2-3,5,7-11,13-14,21,26,29,33H,4,6,12,15-16H2,1H3,(H,30,31)
InChIKeyJRFWKLZHCFBWMR-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.32
Rot. Bonds6

About [[1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]methanol

[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]methanol (PubChem CID 123836971) has the molecular formula C26H28FN5O and a molecular weight of 445.54 g/mol. Its IUPAC name is [[1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]methanol.

Molecular Properties

Compound Name[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]methanol
PubChem CID123836971
Molecular FormulaC26H28FN5O
Molecular Weight445.54 g/mol
Exact Mass445.23
IUPAC Name[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]methanol
SMILESCc1cc(-c2n[nH]c3ccc(C(O)NC4CCCN(Cc5ccccc5F)C4)cc23)ccn1
InChIInChI=1S/C26H28FN5O/c1-17-13-18(10-11-28-17)25-22-14-19(8-9-24(22)30-31-25)26(33)29-21-6-4-12-32(16-21)15-20-5-2-3-7-23(20)27/h2-3,5,7-11,13-14,21,26,29,33H,4,6,12,15-16H2,1H3,(H,30,31)
InChIKeyJRFWKLZHCFBWMR-UHFFFAOYSA-N
XLogP4.32
TPSA77.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [[1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]methanol with MolForge

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Related Compounds

Cdk8-IN-4
CID 75202254
4-fluoro-2-[5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-(3-methyl-2H-indazol-5-yl)-2-pyridinyl]phenol
CID 137637094
5-fluoro-2-[5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-(3-methyl-2H-indazol-5-yl)-2-pyridinyl]phenol
CID 137651391
(2R)-2-[[6-(1H-indol-7-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol
CID 137634742
N-[2-[5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-(3-methyl-2H-indazol-5-yl)-2-pyridinyl]phenyl]acetamide
CID 137636669
(2R)-2-[[6-(2-fluorophenyl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol
CID 137638529
4,5-difluoro-2-[5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-(3-methyl-2H-indazol-5-yl)-2-pyridinyl]phenol
CID 137640932
2-[5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-(3-methyl-2H-indazol-5-yl)-2-pyridinyl]phenol
CID 137641135
(2R)-2-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]amino]-2-phenylethanol
CID 137641746
(2R)-2-[[6-[2-(hydroxymethyl)phenyl]-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol
CID 137645188
2-[5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-(3-methyl-2H-indazol-5-yl)-2-pyridinyl]-4-methylphenol
CID 137646334
2,4-difluoro-6-[5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-(3-methyl-2H-indazol-5-yl)-2-pyridinyl]phenol
CID 137650511

Frequently Asked Questions

What is the IUPAC name of [[1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]methanol?
The IUPAC name of [[1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]methanol (CID 123836971) is [[1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]methanol.
What is the SMILES notation for [[1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]methanol?
The canonical SMILES for [[1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]methanol is Cc1cc(-c2n[nH]c3ccc(C(O)NC4CCCN(Cc5ccccc5F)C4)cc23)ccn1.
What is the InChIKey of [[1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]methanol?
The InChIKey is JRFWKLZHCFBWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O/c1-17-13-18(10-11-28-17)25-22-14-19(8-9-24(22)30-31-25)26(33)29-21-6-4-12-32(16-21)15-20-5-2-3-7-23(20)27/h2-3,5,7-11,13-14,21,26,29,33H,4,6,12,15-16H2,1H3,(H,30,31).
What are the key properties of [[1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]methanol?
[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]methanol has a molecular weight of 445.54 g/mol, XLogP of 4.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]methanol is sourced from PubChem (CID 123836971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).