(2R)-3-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propane-1,2-diol

C20H17ClFN5O2 — CID 54670037

IUPAC(2R)-3-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propane-1,2-diol
SMILESOC[C@H](O)Cn1cc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c2n1
InChIInChI=1S/C20H17ClFN5O2/c21-12-1-2-16(22)15(7-12)18-8-13(3-5-23-18)25-17-4-6-24-19-10-27(26-20(17)19)9-14(29)11-28/h1-8,10,14,28-29H,9,11H2,(H,23,25)/t14-/m1/s1
InChIKeyZXAIKHYRYRFUFS-CQSZACIVSA-N
MW413.84 g/mol
LogP3.38
Rot. Bonds6

About (2R)-3-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propane-1,2-diol

(2R)-3-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propane-1,2-diol (PubChem CID 54670037) has the molecular formula C20H17ClFN5O2 and a molecular weight of 413.84 g/mol. Its IUPAC name is (2R)-3-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propane-1,2-diol
PubChem CID54670037
Molecular FormulaC20H17ClFN5O2
Molecular Weight413.84 g/mol
Exact Mass413.11
IUPAC Name(2R)-3-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propane-1,2-diol
SMILESOC[C@H](O)Cn1cc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c2n1
InChIInChI=1S/C20H17ClFN5O2/c21-12-1-2-16(22)15(7-12)18-8-13(3-5-23-18)25-17-4-6-24-19-10-27(26-20(17)19)9-14(29)11-28/h1-8,10,14,28-29H,9,11H2,(H,23,25)/t14-/m1/s1
InChIKeyZXAIKHYRYRFUFS-CQSZACIVSA-N
XLogP3.38
TPSA96.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.84
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propane-1,2-diol?
The IUPAC name of (2R)-3-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propane-1,2-diol (CID 54670037) is (2R)-3-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propane-1,2-diol?
The canonical SMILES for (2R)-3-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propane-1,2-diol is OC[C@H](O)Cn1cc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c2n1.
What is the InChIKey of (2R)-3-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propane-1,2-diol?
The InChIKey is ZXAIKHYRYRFUFS-CQSZACIVSA-N. The full InChI is InChI=1S/C20H17ClFN5O2/c21-12-1-2-16(22)15(7-12)18-8-13(3-5-23-18)25-17-4-6-24-19-10-27(26-20(17)19)9-14(29)11-28/h1-8,10,14,28-29H,9,11H2,(H,23,25)/t14-/m1/s1.
What are the key properties of (2R)-3-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propane-1,2-diol?
(2R)-3-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propane-1,2-diol has a molecular weight of 413.84 g/mol, XLogP of 3.38, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propane-1,2-diol is sourced from PubChem (CID 54670037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).