N-[[5-[3-fluoro-2-methyl-5-(piperidin-1-ylmethyl)phenyl]-2H-indazol-3-yl]methyl]-6-(4-fluorophenoxy)pyridin-3-amine

C32H31F2N5O — CID 123973282

IUPACN-[[5-[3-fluoro-2-methyl-5-(piperidin-1-ylmethyl)phenyl]-2H-indazol-3-yl]methyl]-6-(4-fluorophenoxy)pyridin-3-amine
SMILESCc1c(F)cc(CN2CCCCC2)cc1-c1ccc2n[nH]c(CNc3ccc(Oc4ccc(F)cc4)nc3)c2c1
InChIInChI=1S/C32H31F2N5O/c1-21-27(15-22(16-29(21)34)20-39-13-3-2-4-14-39)23-5-11-30-28(17-23)31(38-37-30)19-35-25-8-12-32(36-18-25)40-26-9-6-24(33)7-10-26/h5-12,15-18,35H,2-4,13-14,19-20H2,1H3,(H,37,38)
InChIKeyFXBCFVVRMFKKQT-UHFFFAOYSA-N
MW539.63 g/mol
LogP7.60
Rot. Bonds8

About N-[[5-[3-fluoro-2-methyl-5-(piperidin-1-ylmethyl)phenyl]-2H-indazol-3-yl]methyl]-6-(4-fluorophenoxy)pyridin-3-amine

N-[[5-[3-fluoro-2-methyl-5-(piperidin-1-ylmethyl)phenyl]-2H-indazol-3-yl]methyl]-6-(4-fluorophenoxy)pyridin-3-amine (PubChem CID 123973282) has the molecular formula C32H31F2N5O and a molecular weight of 539.63 g/mol. Its IUPAC name is N-[[5-[3-fluoro-2-methyl-5-(piperidin-1-ylmethyl)phenyl]-2H-indazol-3-yl]methyl]-6-(4-fluorophenoxy)pyridin-3-amine.

Molecular Properties

Compound NameN-[[5-[3-fluoro-2-methyl-5-(piperidin-1-ylmethyl)phenyl]-2H-indazol-3-yl]methyl]-6-(4-fluorophenoxy)pyridin-3-amine
PubChem CID123973282
Molecular FormulaC32H31F2N5O
Molecular Weight539.63 g/mol
Exact Mass539.25
IUPAC NameN-[[5-[3-fluoro-2-methyl-5-(piperidin-1-ylmethyl)phenyl]-2H-indazol-3-yl]methyl]-6-(4-fluorophenoxy)pyridin-3-amine
SMILESCc1c(F)cc(CN2CCCCC2)cc1-c1ccc2n[nH]c(CNc3ccc(Oc4ccc(F)cc4)nc3)c2c1
InChIInChI=1S/C32H31F2N5O/c1-21-27(15-22(16-29(21)34)20-39-13-3-2-4-14-39)23-5-11-30-28(17-23)31(38-37-30)19-35-25-8-12-32(36-18-25)40-26-9-6-24(33)7-10-26/h5-12,15-18,35H,2-4,13-14,19-20H2,1H3,(H,37,38)
InChIKeyFXBCFVVRMFKKQT-UHFFFAOYSA-N
XLogP7.60
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.63
LogP ≤ 57.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

A-674563
CID 11314340
3-[(2S)-2-amino-3-[3-(trifluoromethyl)phenyl]propoxy]-5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 11327794
5-{5-[(2S)-2-amino-3-(5-fluoro-2-methylphenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731499
5-{5-[(2S)-2-amino-3-(4-fluoro-3-methylphenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731501
5-{5-[(2S)-2-amino-3-[4-(trifluoromethoxy)phenyl]propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731505
5-{5-[(2S)-2-amino-3-(3-phenylphenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731507
5-{5-[(2S)-2-amino-3-(4-fluoro-2-methylphenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731662
5-{5-[(2S)-2-amino-3-(3-fluorophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731988
5-{5-[(2S)-2-amino-3-(2,4-difluorophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731989
5-{5-[(2S)-2-amino-3-(2,4,6-trifluorophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731990
5-{5-[(2S)-2-amino-3-(2,4,6-trimethylphenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16732278
5-{5-[(2S)-2-amino-3-[3-(trifluoromethyl)phenyl]propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16732279

Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-fluoro-2-methyl-5-(piperidin-1-ylmethyl)phenyl]-2H-indazol-3-yl]methyl]-6-(4-fluorophenoxy)pyridin-3-amine?
The IUPAC name of N-[[5-[3-fluoro-2-methyl-5-(piperidin-1-ylmethyl)phenyl]-2H-indazol-3-yl]methyl]-6-(4-fluorophenoxy)pyridin-3-amine (CID 123973282) is N-[[5-[3-fluoro-2-methyl-5-(piperidin-1-ylmethyl)phenyl]-2H-indazol-3-yl]methyl]-6-(4-fluorophenoxy)pyridin-3-amine.
What is the SMILES notation for N-[[5-[3-fluoro-2-methyl-5-(piperidin-1-ylmethyl)phenyl]-2H-indazol-3-yl]methyl]-6-(4-fluorophenoxy)pyridin-3-amine?
The canonical SMILES for N-[[5-[3-fluoro-2-methyl-5-(piperidin-1-ylmethyl)phenyl]-2H-indazol-3-yl]methyl]-6-(4-fluorophenoxy)pyridin-3-amine is Cc1c(F)cc(CN2CCCCC2)cc1-c1ccc2n[nH]c(CNc3ccc(Oc4ccc(F)cc4)nc3)c2c1.
What is the InChIKey of N-[[5-[3-fluoro-2-methyl-5-(piperidin-1-ylmethyl)phenyl]-2H-indazol-3-yl]methyl]-6-(4-fluorophenoxy)pyridin-3-amine?
The InChIKey is FXBCFVVRMFKKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31F2N5O/c1-21-27(15-22(16-29(21)34)20-39-13-3-2-4-14-39)23-5-11-30-28(17-23)31(38-37-30)19-35-25-8-12-32(36-18-25)40-26-9-6-24(33)7-10-26/h5-12,15-18,35H,2-4,13-14,19-20H2,1H3,(H,37,38).
What are the key properties of N-[[5-[3-fluoro-2-methyl-5-(piperidin-1-ylmethyl)phenyl]-2H-indazol-3-yl]methyl]-6-(4-fluorophenoxy)pyridin-3-amine?
N-[[5-[3-fluoro-2-methyl-5-(piperidin-1-ylmethyl)phenyl]-2H-indazol-3-yl]methyl]-6-(4-fluorophenoxy)pyridin-3-amine has a molecular weight of 539.63 g/mol, XLogP of 7.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[3-fluoro-2-methyl-5-(piperidin-1-ylmethyl)phenyl]-2H-indazol-3-yl]methyl]-6-(4-fluorophenoxy)pyridin-3-amine is sourced from PubChem (CID 123973282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).