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

C32H33FN10O — CID 90078667

IUPAC4-[3-fluoro-5-[2-[5-[5-(piperazin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2,3-dihydro-1H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine
SMILESFc1cc(-c2cncc3c2NC(c2[nH]nc4ncc(-c5cncc(CN6CCNCC6)c5)cc24)N3)cc(N2CCOCC2)c1
InChIInChI=1S/C32H33FN10O/c33-24-10-21(11-25(13-24)43-5-7-44-8-6-43)27-17-36-18-28-29(27)39-32(38-28)30-26-12-23(16-37-31(26)41-40-30)22-9-20(14-35-15-22)19-42-3-1-34-2-4-42/h9-18,32,34,38-39H,1-8,19H2,(H,37,40,41)
InChIKeyQRQBHYQZKDJINL-UHFFFAOYSA-N
MW592.68 g/mol
LogP4.00
Rot. Bonds6

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

4-[3-fluoro-5-[2-[5-[5-(piperazin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2,3-dihydro-1H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine (PubChem CID 90078667) has the molecular formula C32H33FN10O and a molecular weight of 592.68 g/mol. Its IUPAC name is 4-[3-fluoro-5-[2-[5-[5-(piperazin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2,3-dihydro-1H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[3-fluoro-5-[2-[5-[5-(piperazin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2,3-dihydro-1H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine
PubChem CID90078667
Molecular FormulaC32H33FN10O
Molecular Weight592.68 g/mol
Exact Mass592.28
IUPAC Name4-[3-fluoro-5-[2-[5-[5-(piperazin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2,3-dihydro-1H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine
SMILESFc1cc(-c2cncc3c2NC(c2[nH]nc4ncc(-c5cncc(CN6CCNCC6)c5)cc24)N3)cc(N2CCOCC2)c1
InChIInChI=1S/C32H33FN10O/c33-24-10-21(11-25(13-24)43-5-7-44-8-6-43)27-17-36-18-28-29(27)39-32(38-28)30-26-12-23(16-37-31(26)41-40-30)22-9-20(14-35-15-22)19-42-3-1-34-2-4-42/h9-18,32,34,38-39H,1-8,19H2,(H,37,40,41)
InChIKeyQRQBHYQZKDJINL-UHFFFAOYSA-N
XLogP4.00
TPSA119.15 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.68
LogP ≤ 54.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 4-[3-fluoro-5-[2-[5-[5-(piperazin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2,3-dihydro-1H-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-(piperazin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2,3-dihydro-1H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine?
The IUPAC name of 4-[3-fluoro-5-[2-[5-[5-(piperazin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2,3-dihydro-1H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine (CID 90078667) is 4-[3-fluoro-5-[2-[5-[5-(piperazin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2,3-dihydro-1H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine.
What is the SMILES notation for 4-[3-fluoro-5-[2-[5-[5-(piperazin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2,3-dihydro-1H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine?
The canonical SMILES for 4-[3-fluoro-5-[2-[5-[5-(piperazin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2,3-dihydro-1H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine is Fc1cc(-c2cncc3c2NC(c2[nH]nc4ncc(-c5cncc(CN6CCNCC6)c5)cc24)N3)cc(N2CCOCC2)c1.
What is the InChIKey of 4-[3-fluoro-5-[2-[5-[5-(piperazin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2,3-dihydro-1H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine?
The InChIKey is QRQBHYQZKDJINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33FN10O/c33-24-10-21(11-25(13-24)43-5-7-44-8-6-43)27-17-36-18-28-29(27)39-32(38-28)30-26-12-23(16-37-31(26)41-40-30)22-9-20(14-35-15-22)19-42-3-1-34-2-4-42/h9-18,32,34,38-39H,1-8,19H2,(H,37,40,41).
What are the key properties of 4-[3-fluoro-5-[2-[5-[5-(piperazin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2,3-dihydro-1H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine?
4-[3-fluoro-5-[2-[5-[5-(piperazin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2,3-dihydro-1H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine has a molecular weight of 592.68 g/mol, XLogP of 4.00, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-5-[2-[5-[5-(piperazin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2,3-dihydro-1H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine is sourced from PubChem (CID 90078667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).