N-[[3-(2-chloro-4-pyridinyl)-6-methyl-1H-indazol-5-yl]methyl]-1-[(2,6-difluorophenyl)methyl]piperidin-3-amine

C26H26ClF2N5 — CID 123762873

IUPACN-[[3-(2-chloro-4-pyridinyl)-6-methyl-1H-indazol-5-yl]methyl]-1-[(2,6-difluorophenyl)methyl]piperidin-3-amine
SMILESCc1cc2[nH]nc(-c3ccnc(Cl)c3)c2cc1CNC1CCCN(Cc2c(F)cccc2F)C1
InChIInChI=1S/C26H26ClF2N5/c1-16-10-24-20(26(33-32-24)17-7-8-30-25(27)12-17)11-18(16)13-31-19-4-3-9-34(14-19)15-21-22(28)5-2-6-23(21)29/h2,5-8,10-12,19,31H,3-4,9,13-15H2,1H3,(H,32,33)
InChIKeyWPNQKRKDTNRDGU-UHFFFAOYSA-N
MW481.98 g/mol
LogP5.62
Rot. Bonds6

About N-[[3-(2-chloro-4-pyridinyl)-6-methyl-1H-indazol-5-yl]methyl]-1-[(2,6-difluorophenyl)methyl]piperidin-3-amine

N-[[3-(2-chloro-4-pyridinyl)-6-methyl-1H-indazol-5-yl]methyl]-1-[(2,6-difluorophenyl)methyl]piperidin-3-amine (PubChem CID 123762873) has the molecular formula C26H26ClF2N5 and a molecular weight of 481.98 g/mol. Its IUPAC name is N-[[3-(2-chloro-4-pyridinyl)-6-methyl-1H-indazol-5-yl]methyl]-1-[(2,6-difluorophenyl)methyl]piperidin-3-amine.

Molecular Properties

Compound NameN-[[3-(2-chloro-4-pyridinyl)-6-methyl-1H-indazol-5-yl]methyl]-1-[(2,6-difluorophenyl)methyl]piperidin-3-amine
PubChem CID123762873
Molecular FormulaC26H26ClF2N5
Molecular Weight481.98 g/mol
Exact Mass481.18
IUPAC NameN-[[3-(2-chloro-4-pyridinyl)-6-methyl-1H-indazol-5-yl]methyl]-1-[(2,6-difluorophenyl)methyl]piperidin-3-amine
SMILESCc1cc2[nH]nc(-c3ccnc(Cl)c3)c2cc1CNC1CCCN(Cc2c(F)cccc2F)C1
InChIInChI=1S/C26H26ClF2N5/c1-16-10-24-20(26(33-32-24)17-7-8-30-25(27)12-17)11-18(16)13-31-19-4-3-9-34(14-19)15-21-22(28)5-2-6-23(21)29/h2,5-8,10-12,19,31H,3-4,9,13-15H2,1H3,(H,32,33)
InChIKeyWPNQKRKDTNRDGU-UHFFFAOYSA-N
XLogP5.62
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.98
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(3R)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-5-[3-(2-chloro-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[3-(2-chloro-4-pyridinyl)-1H-indazol-5-yl]-5-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazole
CID 161120788
N-[1-[(2-fluoro-6-methylphenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 70652288
1-[(2,6-difluorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-3-amine
CID 119128794
N-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 163429179
5-[4-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole
CID 56968767
3-(2-ethyl-4-pyridinyl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide
CID 56591375
5-[1-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole
CID 86695577
3-(1-benzofuran-5-yl)-N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide
CID 70652885
N-(1-benzylpiperidin-3-yl)-2-chloropyridin-4-amine
CID 80522263
N-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-3-amine
CID 63667561
N-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]ethanesulfonamide
CID 95331166
N-[1-[(2,6-dimethylphenyl)methyl]piperidin-3-yl]-3-(3-fluoro-4-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 56941200

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-chloro-4-pyridinyl)-6-methyl-1H-indazol-5-yl]methyl]-1-[(2,6-difluorophenyl)methyl]piperidin-3-amine?
The IUPAC name of N-[[3-(2-chloro-4-pyridinyl)-6-methyl-1H-indazol-5-yl]methyl]-1-[(2,6-difluorophenyl)methyl]piperidin-3-amine (CID 123762873) is N-[[3-(2-chloro-4-pyridinyl)-6-methyl-1H-indazol-5-yl]methyl]-1-[(2,6-difluorophenyl)methyl]piperidin-3-amine.
What is the SMILES notation for N-[[3-(2-chloro-4-pyridinyl)-6-methyl-1H-indazol-5-yl]methyl]-1-[(2,6-difluorophenyl)methyl]piperidin-3-amine?
The canonical SMILES for N-[[3-(2-chloro-4-pyridinyl)-6-methyl-1H-indazol-5-yl]methyl]-1-[(2,6-difluorophenyl)methyl]piperidin-3-amine is Cc1cc2[nH]nc(-c3ccnc(Cl)c3)c2cc1CNC1CCCN(Cc2c(F)cccc2F)C1.
What is the InChIKey of N-[[3-(2-chloro-4-pyridinyl)-6-methyl-1H-indazol-5-yl]methyl]-1-[(2,6-difluorophenyl)methyl]piperidin-3-amine?
The InChIKey is WPNQKRKDTNRDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClF2N5/c1-16-10-24-20(26(33-32-24)17-7-8-30-25(27)12-17)11-18(16)13-31-19-4-3-9-34(14-19)15-21-22(28)5-2-6-23(21)29/h2,5-8,10-12,19,31H,3-4,9,13-15H2,1H3,(H,32,33).
What are the key properties of N-[[3-(2-chloro-4-pyridinyl)-6-methyl-1H-indazol-5-yl]methyl]-1-[(2,6-difluorophenyl)methyl]piperidin-3-amine?
N-[[3-(2-chloro-4-pyridinyl)-6-methyl-1H-indazol-5-yl]methyl]-1-[(2,6-difluorophenyl)methyl]piperidin-3-amine has a molecular weight of 481.98 g/mol, XLogP of 5.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-chloro-4-pyridinyl)-6-methyl-1H-indazol-5-yl]methyl]-1-[(2,6-difluorophenyl)methyl]piperidin-3-amine is sourced from PubChem (CID 123762873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).