1-[[5-[4-fluoro-3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]pentan-1-ol

C27H24FN9O — CID 137286639

IUPAC1-[[5-[4-fluoro-3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]pentan-1-ol
SMILESCCCCC(O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5nccc(-c6ccncc6)c5[nH]4)c3c2F)c1
InChIInChI=1S/C27H24FN9O/c1-2-3-4-20(38)33-17-11-16(12-30-13-17)19-14-32-25-21(22(19)28)24(36-37-25)27-34-23-18(7-10-31-26(23)35-27)15-5-8-29-9-6-15/h5-14,20,33,38H,2-4H2,1H3,(H,31,34,35)(H,32,36,37)
InChIKeyIZACIDOYSSQYNI-UHFFFAOYSA-N
MW509.55 g/mol
LogP5.08
Rot. Bonds8

About 1-[[5-[4-fluoro-3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]pentan-1-ol

1-[[5-[4-fluoro-3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]pentan-1-ol (PubChem CID 137286639) has the molecular formula C27H24FN9O and a molecular weight of 509.55 g/mol. Its IUPAC name is 1-[[5-[4-fluoro-3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]pentan-1-ol.

Molecular Properties

Compound Name1-[[5-[4-fluoro-3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]pentan-1-ol
PubChem CID137286639
Molecular FormulaC27H24FN9O
Molecular Weight509.55 g/mol
Exact Mass509.21
IUPAC Name1-[[5-[4-fluoro-3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]pentan-1-ol
SMILESCCCCC(O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5nccc(-c6ccncc6)c5[nH]4)c3c2F)c1
InChIInChI=1S/C27H24FN9O/c1-2-3-4-20(38)33-17-11-16(12-30-13-17)19-14-32-25-21(22(19)28)24(36-37-25)27-34-23-18(7-10-31-26(23)35-27)15-5-8-29-9-6-15/h5-14,20,33,38H,2-4H2,1H3,(H,31,34,35)(H,32,36,37)
InChIKeyIZACIDOYSSQYNI-UHFFFAOYSA-N
XLogP5.08
TPSA141.18 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.55
LogP ≤ 55.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[[5-[4-fluoro-3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]pentan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-[4-fluoro-3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]pentan-1-ol?
The IUPAC name of 1-[[5-[4-fluoro-3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]pentan-1-ol (CID 137286639) is 1-[[5-[4-fluoro-3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]pentan-1-ol.
What is the SMILES notation for 1-[[5-[4-fluoro-3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]pentan-1-ol?
The canonical SMILES for 1-[[5-[4-fluoro-3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]pentan-1-ol is CCCCC(O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5nccc(-c6ccncc6)c5[nH]4)c3c2F)c1.
What is the InChIKey of 1-[[5-[4-fluoro-3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]pentan-1-ol?
The InChIKey is IZACIDOYSSQYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN9O/c1-2-3-4-20(38)33-17-11-16(12-30-13-17)19-14-32-25-21(22(19)28)24(36-37-25)27-34-23-18(7-10-31-26(23)35-27)15-5-8-29-9-6-15/h5-14,20,33,38H,2-4H2,1H3,(H,31,34,35)(H,32,36,37).
What are the key properties of 1-[[5-[4-fluoro-3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]pentan-1-ol?
1-[[5-[4-fluoro-3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]pentan-1-ol has a molecular weight of 509.55 g/mol, XLogP of 5.08, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[4-fluoro-3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]pentan-1-ol is sourced from PubChem (CID 137286639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).