N-(3-chloro-4-pyridinyl)-6-[1-[[2,6-difluoro-4-(2-methoxyethoxy)phenyl]methyl]indazol-3-yl]-3-piperidin-4-ylpyridin-2-amine

C32H31ClF2N6O2 — CID 145043288

IUPACN-(3-chloro-4-pyridinyl)-6-[1-[[2,6-difluoro-4-(2-methoxyethoxy)phenyl]methyl]indazol-3-yl]-3-piperidin-4-ylpyridin-2-amine
SMILESCOCCOc1cc(F)c(Cn2nc(-c3ccc(C4CCNCC4)c(Nc4ccncc4Cl)n3)c3ccccc32)c(F)c1
InChIInChI=1S/C32H31ClF2N6O2/c1-42-14-15-43-21-16-26(34)24(27(35)17-21)19-41-30-5-3-2-4-23(30)31(40-41)29-7-6-22(20-8-11-36-12-9-20)32(39-29)38-28-10-13-37-18-25(28)33/h2-7,10,13,16-18,20,36H,8-9,11-12,14-15,19H2,1H3,(H,37,38,39)
InChIKeyHMWGRCORRGRTNR-UHFFFAOYSA-N
MW605.09 g/mol
LogP6.71
Rot. Bonds10

About N-(3-chloro-4-pyridinyl)-6-[1-[[2,6-difluoro-4-(2-methoxyethoxy)phenyl]methyl]indazol-3-yl]-3-piperidin-4-ylpyridin-2-amine

N-(3-chloro-4-pyridinyl)-6-[1-[[2,6-difluoro-4-(2-methoxyethoxy)phenyl]methyl]indazol-3-yl]-3-piperidin-4-ylpyridin-2-amine (PubChem CID 145043288) has the molecular formula C32H31ClF2N6O2 and a molecular weight of 605.09 g/mol. Its IUPAC name is N-(3-chloro-4-pyridinyl)-6-[1-[[2,6-difluoro-4-(2-methoxyethoxy)phenyl]methyl]indazol-3-yl]-3-piperidin-4-ylpyridin-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-pyridinyl)-6-[1-[[2,6-difluoro-4-(2-methoxyethoxy)phenyl]methyl]indazol-3-yl]-3-piperidin-4-ylpyridin-2-amine
PubChem CID145043288
Molecular FormulaC32H31ClF2N6O2
Molecular Weight605.09 g/mol
Exact Mass604.22
IUPAC NameN-(3-chloro-4-pyridinyl)-6-[1-[[2,6-difluoro-4-(2-methoxyethoxy)phenyl]methyl]indazol-3-yl]-3-piperidin-4-ylpyridin-2-amine
SMILESCOCCOc1cc(F)c(Cn2nc(-c3ccc(C4CCNCC4)c(Nc4ccncc4Cl)n3)c3ccccc32)c(F)c1
InChIInChI=1S/C32H31ClF2N6O2/c1-42-14-15-43-21-16-26(34)24(27(35)17-21)19-41-30-5-3-2-4-23(30)31(40-41)29-7-6-22(20-8-11-36-12-9-20)32(39-29)38-28-10-13-37-18-25(28)33/h2-7,10,13,16-18,20,36H,8-9,11-12,14-15,19H2,1H3,(H,37,38,39)
InChIKeyHMWGRCORRGRTNR-UHFFFAOYSA-N
XLogP6.71
TPSA86.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.09
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-difluoro-4-((3-(5-methoxy-4-((3-methoxypyridin-4-yl)amino)pyrimidin-2-yl)-1H-indazol-1-yl)methyl)phenoxy)ethan-1-ol
CID 118958833
6-(2-Fluoro-6-methoxyphenyl)-1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine
CID 162644299
1-[4-Chloro-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridine
CID 162661542
5-(2-aminoethoxy)-2-[1-(4-ethoxy-2,6-difluorobenzyl)-1H-indazol-3-yl]-N-(pyridin-4-yl)pyrimidin-4-amine
CID 71540875
US10266548, Example 2-14-1
CID 71553451
US10266548, Example 2-14-2
CID 71553452
US10266548, Example 2-26-1
CID 71553701
US10266548, Example 2-39-1
CID 71553966
US10266548, Example 2-51-1
CID 71554227
US10266548, Example 38-2
CID 71554402
US10266548, Example 34-3
CID 71554485
2-[{2-[1-(4-ethoxy-2,6-difluorobenzyl)-1H-indazol-3-yl]pyrimidin-4-yl}(pyridin-4-yl)amino]ethanol
CID 71554487

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-pyridinyl)-6-[1-[[2,6-difluoro-4-(2-methoxyethoxy)phenyl]methyl]indazol-3-yl]-3-piperidin-4-ylpyridin-2-amine?
The IUPAC name of N-(3-chloro-4-pyridinyl)-6-[1-[[2,6-difluoro-4-(2-methoxyethoxy)phenyl]methyl]indazol-3-yl]-3-piperidin-4-ylpyridin-2-amine (CID 145043288) is N-(3-chloro-4-pyridinyl)-6-[1-[[2,6-difluoro-4-(2-methoxyethoxy)phenyl]methyl]indazol-3-yl]-3-piperidin-4-ylpyridin-2-amine.
What is the SMILES notation for N-(3-chloro-4-pyridinyl)-6-[1-[[2,6-difluoro-4-(2-methoxyethoxy)phenyl]methyl]indazol-3-yl]-3-piperidin-4-ylpyridin-2-amine?
The canonical SMILES for N-(3-chloro-4-pyridinyl)-6-[1-[[2,6-difluoro-4-(2-methoxyethoxy)phenyl]methyl]indazol-3-yl]-3-piperidin-4-ylpyridin-2-amine is COCCOc1cc(F)c(Cn2nc(-c3ccc(C4CCNCC4)c(Nc4ccncc4Cl)n3)c3ccccc32)c(F)c1.
What is the InChIKey of N-(3-chloro-4-pyridinyl)-6-[1-[[2,6-difluoro-4-(2-methoxyethoxy)phenyl]methyl]indazol-3-yl]-3-piperidin-4-ylpyridin-2-amine?
The InChIKey is HMWGRCORRGRTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31ClF2N6O2/c1-42-14-15-43-21-16-26(34)24(27(35)17-21)19-41-30-5-3-2-4-23(30)31(40-41)29-7-6-22(20-8-11-36-12-9-20)32(39-29)38-28-10-13-37-18-25(28)33/h2-7,10,13,16-18,20,36H,8-9,11-12,14-15,19H2,1H3,(H,37,38,39).
What are the key properties of N-(3-chloro-4-pyridinyl)-6-[1-[[2,6-difluoro-4-(2-methoxyethoxy)phenyl]methyl]indazol-3-yl]-3-piperidin-4-ylpyridin-2-amine?
N-(3-chloro-4-pyridinyl)-6-[1-[[2,6-difluoro-4-(2-methoxyethoxy)phenyl]methyl]indazol-3-yl]-3-piperidin-4-ylpyridin-2-amine has a molecular weight of 605.09 g/mol, XLogP of 6.71, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-pyridinyl)-6-[1-[[2,6-difluoro-4-(2-methoxyethoxy)phenyl]methyl]indazol-3-yl]-3-piperidin-4-ylpyridin-2-amine is sourced from PubChem (CID 145043288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).