4-[3-fluoro-5-[2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine

C33H33FN10O — CID 136507015

IUPAC4-[3-fluoro-5-[2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine
SMILESCN1CCN(Cc2cncc(-c3cnc4n[nH]c(-c5nc6c(-c7cc(F)cc(N8CCOCC8)c7)cncc6[nH]5)c4c3)c2)CC1
InChIInChI=1S/C33H33FN10O/c1-42-2-4-43(5-3-42)20-21-10-23(16-35-15-21)24-13-27-31(40-41-32(27)37-17-24)33-38-29-19-36-18-28(30(29)39-33)22-11-25(34)14-26(12-22)44-6-8-45-9-7-44/h10-19H,2-9,20H2,1H3,(H,38,39)(H,37,40,41)
InChIKeyFWXFDPLJVHMLPJ-UHFFFAOYSA-N
MW604.69 g/mol
LogP4.35
Rot. Bonds6

About 4-[3-fluoro-5-[2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine

4-[3-fluoro-5-[2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine (PubChem CID 136507015) has the molecular formula C33H33FN10O and a molecular weight of 604.69 g/mol. Its IUPAC name is 4-[3-fluoro-5-[2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[3-fluoro-5-[2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine
PubChem CID136507015
Molecular FormulaC33H33FN10O
Molecular Weight604.69 g/mol
Exact Mass604.28
IUPAC Name4-[3-fluoro-5-[2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine
SMILESCN1CCN(Cc2cncc(-c3cnc4n[nH]c(-c5nc6c(-c7cc(F)cc(N8CCOCC8)c7)cncc6[nH]5)c4c3)c2)CC1
InChIInChI=1S/C33H33FN10O/c1-42-2-4-43(5-3-42)20-21-10-23(16-35-15-21)24-13-27-31(40-41-32(27)37-17-24)33-38-29-19-36-18-28(30(29)39-33)22-11-25(34)14-26(12-22)44-6-8-45-9-7-44/h10-19H,2-9,20H2,1H3,(H,38,39)(H,37,40,41)
InChIKeyFWXFDPLJVHMLPJ-UHFFFAOYSA-N
XLogP4.35
TPSA114.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500604.69
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[3-fluoro-5-[2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-5-[2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine?
The IUPAC name of 4-[3-fluoro-5-[2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine (CID 136507015) is 4-[3-fluoro-5-[2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine.
What is the SMILES notation for 4-[3-fluoro-5-[2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine?
The canonical SMILES for 4-[3-fluoro-5-[2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine is CN1CCN(Cc2cncc(-c3cnc4n[nH]c(-c5nc6c(-c7cc(F)cc(N8CCOCC8)c7)cncc6[nH]5)c4c3)c2)CC1.
What is the InChIKey of 4-[3-fluoro-5-[2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine?
The InChIKey is FWXFDPLJVHMLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33FN10O/c1-42-2-4-43(5-3-42)20-21-10-23(16-35-15-21)24-13-27-31(40-41-32(27)37-17-24)33-38-29-19-36-18-28(30(29)39-33)22-11-25(34)14-26(12-22)44-6-8-45-9-7-44/h10-19H,2-9,20H2,1H3,(H,38,39)(H,37,40,41).
What are the key properties of 4-[3-fluoro-5-[2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine?
4-[3-fluoro-5-[2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine has a molecular weight of 604.69 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-5-[2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine is sourced from PubChem (CID 136507015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).