2-[3-[4-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-fluoro-3-pyridinyl)-2H-indazol-7-yl]-4-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine

C44H36F3N15O — CID 162575076

IUPAC2-[3-[4-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-fluoro-3-pyridinyl)-2H-indazol-7-yl]-4-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine
SMILESCn1cc(-c2ccc3[nH]nc(-c4nc5c(N6CCOC(c7cc(-c8cncc(F)c8)cc8c(-c9nc%10c(N%11CCC(F)(F)CC%11)nccc%10[nH]9)[nH]nc78)C6)nccc5[nH]4)c3c2)cn1
InChIInChI=1S/C44H36F3N15O/c1-60-21-26(19-51-60)23-2-3-31-28(15-23)36(58-56-31)40-52-33-5-9-50-43(39(33)55-40)62-12-13-63-34(22-62)29-16-24(25-14-27(45)20-48-18-25)17-30-35(29)57-59-37(30)41-53-32-4-8-49-42(38(32)54-41)61-10-6-44(46,47)7-11-61/h2-5,8-9,14-21,34H,6-7,10-13,22H2,1H3,(H,52,55)(H,53,54)(H,56,58)(H,57,59)
InChIKeyILMIEUMKQXSINF-UHFFFAOYSA-N
MW847.87 g/mol
LogP7.73
Rot. Bonds7

About 2-[3-[4-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-fluoro-3-pyridinyl)-2H-indazol-7-yl]-4-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine

2-[3-[4-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-fluoro-3-pyridinyl)-2H-indazol-7-yl]-4-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine (PubChem CID 162575076) has the molecular formula C44H36F3N15O and a molecular weight of 847.87 g/mol. Its IUPAC name is 2-[3-[4-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-fluoro-3-pyridinyl)-2H-indazol-7-yl]-4-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine.

Molecular Properties

Compound Name2-[3-[4-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-fluoro-3-pyridinyl)-2H-indazol-7-yl]-4-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine
PubChem CID162575076
Molecular FormulaC44H36F3N15O
Molecular Weight847.87 g/mol
Exact Mass847.32
IUPAC Name2-[3-[4-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-fluoro-3-pyridinyl)-2H-indazol-7-yl]-4-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine
SMILESCn1cc(-c2ccc3[nH]nc(-c4nc5c(N6CCOC(c7cc(-c8cncc(F)c8)cc8c(-c9nc%10c(N%11CCC(F)(F)CC%11)nccc%10[nH]9)[nH]nc78)C6)nccc5[nH]4)c3c2)cn1
InChIInChI=1S/C44H36F3N15O/c1-60-21-26(19-51-60)23-2-3-31-28(15-23)36(58-56-31)40-52-33-5-9-50-43(39(33)55-40)62-12-13-63-34(22-62)29-16-24(25-14-27(45)20-48-18-25)17-30-35(29)57-59-37(30)41-53-32-4-8-49-42(38(32)54-41)61-10-6-44(46,47)7-11-61/h2-5,8-9,14-21,34H,6-7,10-13,22H2,1H3,(H,52,55)(H,53,54)(H,56,58)(H,57,59)
InChIKeyILMIEUMKQXSINF-UHFFFAOYSA-N
XLogP7.73
TPSA186.92 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500847.87
LogP ≤ 57.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 2-[3-[4-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-fluoro-3-pyridinyl)-2H-indazol-7-yl]-4-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-fluoro-3-pyridinyl)-2H-indazol-7-yl]-4-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine?
The IUPAC name of 2-[3-[4-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-fluoro-3-pyridinyl)-2H-indazol-7-yl]-4-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine (CID 162575076) is 2-[3-[4-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-fluoro-3-pyridinyl)-2H-indazol-7-yl]-4-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine.
What is the SMILES notation for 2-[3-[4-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-fluoro-3-pyridinyl)-2H-indazol-7-yl]-4-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine?
The canonical SMILES for 2-[3-[4-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-fluoro-3-pyridinyl)-2H-indazol-7-yl]-4-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine is Cn1cc(-c2ccc3[nH]nc(-c4nc5c(N6CCOC(c7cc(-c8cncc(F)c8)cc8c(-c9nc%10c(N%11CCC(F)(F)CC%11)nccc%10[nH]9)[nH]nc78)C6)nccc5[nH]4)c3c2)cn1.
What is the InChIKey of 2-[3-[4-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-fluoro-3-pyridinyl)-2H-indazol-7-yl]-4-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine?
The InChIKey is ILMIEUMKQXSINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36F3N15O/c1-60-21-26(19-51-60)23-2-3-31-28(15-23)36(58-56-31)40-52-33-5-9-50-43(39(33)55-40)62-12-13-63-34(22-62)29-16-24(25-14-27(45)20-48-18-25)17-30-35(29)57-59-37(30)41-53-32-4-8-49-42(38(32)54-41)61-10-6-44(46,47)7-11-61/h2-5,8-9,14-21,34H,6-7,10-13,22H2,1H3,(H,52,55)(H,53,54)(H,56,58)(H,57,59).
What are the key properties of 2-[3-[4-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-fluoro-3-pyridinyl)-2H-indazol-7-yl]-4-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine?
2-[3-[4-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-fluoro-3-pyridinyl)-2H-indazol-7-yl]-4-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine has a molecular weight of 847.87 g/mol, XLogP of 7.73, 7 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-fluoro-3-pyridinyl)-2H-indazol-7-yl]-4-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine is sourced from PubChem (CID 162575076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).