(2R)-2-[6-fluoro-5-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]imidazo[4,5-b]pyridin-3-yl]-2-(5-fluoro-2-pyridinyl)ethanol

C19H19F2N7O2 — CID 25094902

IUPAC(2R)-2-[6-fluoro-5-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]imidazo[4,5-b]pyridin-3-yl]-2-(5-fluoro-2-pyridinyl)ethanol
SMILESCC(C)Oc1cc(Nc2nc3c(cc2F)ncn3[C@@H](CO)c2ccc(F)cn2)[nH]n1
InChIInChI=1S/C19H19F2N7O2/c1-10(2)30-17-6-16(26-27-17)24-18-12(21)5-14-19(25-18)28(9-23-14)15(8-29)13-4-3-11(20)7-22-13/h3-7,9-10,15,29H,8H2,1-2H3,(H2,24,25,26,27)/t15-/m0/s1
InChIKeyBXERIDNAQJVEFF-HNNXBMFYSA-N
MW415.40 g/mol
LogP2.94
Rot. Bonds7

About (2R)-2-[6-fluoro-5-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]imidazo[4,5-b]pyridin-3-yl]-2-(5-fluoro-2-pyridinyl)ethanol

(2R)-2-[6-fluoro-5-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]imidazo[4,5-b]pyridin-3-yl]-2-(5-fluoro-2-pyridinyl)ethanol (PubChem CID 25094902) has the molecular formula C19H19F2N7O2 and a molecular weight of 415.40 g/mol. Its IUPAC name is (2R)-2-[6-fluoro-5-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]imidazo[4,5-b]pyridin-3-yl]-2-(5-fluoro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name(2R)-2-[6-fluoro-5-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]imidazo[4,5-b]pyridin-3-yl]-2-(5-fluoro-2-pyridinyl)ethanol
PubChem CID25094902
Molecular FormulaC19H19F2N7O2
Molecular Weight415.40 g/mol
Exact Mass415.16
IUPAC Name(2R)-2-[6-fluoro-5-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]imidazo[4,5-b]pyridin-3-yl]-2-(5-fluoro-2-pyridinyl)ethanol
SMILESCC(C)Oc1cc(Nc2nc3c(cc2F)ncn3[C@@H](CO)c2ccc(F)cn2)[nH]n1
InChIInChI=1S/C19H19F2N7O2/c1-10(2)30-17-6-16(26-27-17)24-18-12(21)5-14-19(25-18)28(9-23-14)15(8-29)13-4-3-11(20)7-22-13/h3-7,9-10,15,29H,8H2,1-2H3,(H2,24,25,26,27)/t15-/m0/s1
InChIKeyBXERIDNAQJVEFF-HNNXBMFYSA-N
XLogP2.94
TPSA113.77 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2R)-2-[6-fluoro-5-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]imidazo[4,5-b]pyridin-3-yl]-2-(5-fluoro-2-pyridinyl)ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[6-fluoro-5-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]imidazo[4,5-b]pyridin-3-yl]-2-(5-fluoro-2-pyridinyl)ethanol?
The IUPAC name of (2R)-2-[6-fluoro-5-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]imidazo[4,5-b]pyridin-3-yl]-2-(5-fluoro-2-pyridinyl)ethanol (CID 25094902) is (2R)-2-[6-fluoro-5-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]imidazo[4,5-b]pyridin-3-yl]-2-(5-fluoro-2-pyridinyl)ethanol.
What is the SMILES notation for (2R)-2-[6-fluoro-5-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]imidazo[4,5-b]pyridin-3-yl]-2-(5-fluoro-2-pyridinyl)ethanol?
The canonical SMILES for (2R)-2-[6-fluoro-5-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]imidazo[4,5-b]pyridin-3-yl]-2-(5-fluoro-2-pyridinyl)ethanol is CC(C)Oc1cc(Nc2nc3c(cc2F)ncn3[C@@H](CO)c2ccc(F)cn2)[nH]n1.
What is the InChIKey of (2R)-2-[6-fluoro-5-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]imidazo[4,5-b]pyridin-3-yl]-2-(5-fluoro-2-pyridinyl)ethanol?
The InChIKey is BXERIDNAQJVEFF-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19F2N7O2/c1-10(2)30-17-6-16(26-27-17)24-18-12(21)5-14-19(25-18)28(9-23-14)15(8-29)13-4-3-11(20)7-22-13/h3-7,9-10,15,29H,8H2,1-2H3,(H2,24,25,26,27)/t15-/m0/s1.
What are the key properties of (2R)-2-[6-fluoro-5-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]imidazo[4,5-b]pyridin-3-yl]-2-(5-fluoro-2-pyridinyl)ethanol?
(2R)-2-[6-fluoro-5-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]imidazo[4,5-b]pyridin-3-yl]-2-(5-fluoro-2-pyridinyl)ethanol has a molecular weight of 415.40 g/mol, XLogP of 2.94, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[6-fluoro-5-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]imidazo[4,5-b]pyridin-3-yl]-2-(5-fluoro-2-pyridinyl)ethanol is sourced from PubChem (CID 25094902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).