(2R)-1-[[4-[3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]amino]propan-2-ol

C21H19FN4O — CID 10937337

IUPAC(2R)-1-[[4-[3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]amino]propan-2-ol
SMILESC[C@@H](O)CNc1cc(-c2[nH]c3cccnc3c2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C21H19FN4O/c1-13(27)12-25-18-11-15(8-10-23-18)20-19(14-4-6-16(22)7-5-14)21-17(26-20)3-2-9-24-21/h2-11,13,26-27H,12H2,1H3,(H,23,25)/t13-/m1/s1
InChIKeyKCXCFBQZWGUDQC-CYBMUJFWSA-N
MW362.41 g/mol
LogP4.22
Rot. Bonds5

About (2R)-1-[[4-[3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]amino]propan-2-ol

(2R)-1-[[4-[3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]amino]propan-2-ol (PubChem CID 10937337) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is (2R)-1-[[4-[3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[4-[3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]amino]propan-2-ol
PubChem CID10937337
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC Name(2R)-1-[[4-[3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]amino]propan-2-ol
SMILESC[C@@H](O)CNc1cc(-c2[nH]c3cccnc3c2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C21H19FN4O/c1-13(27)12-25-18-11-15(8-10-23-18)20-19(14-4-6-16(22)7-5-14)21-17(26-20)3-2-9-24-21/h2-11,13,26-27H,12H2,1H3,(H,23,25)/t13-/m1/s1
InChIKeyKCXCFBQZWGUDQC-CYBMUJFWSA-N
XLogP4.22
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[[4-[3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]amino]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[4-[3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]amino]propan-2-ol?
The IUPAC name of (2R)-1-[[4-[3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]amino]propan-2-ol (CID 10937337) is (2R)-1-[[4-[3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[4-[3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-[[4-[3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]amino]propan-2-ol is C[C@@H](O)CNc1cc(-c2[nH]c3cccnc3c2-c2ccc(F)cc2)ccn1.
What is the InChIKey of (2R)-1-[[4-[3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]amino]propan-2-ol?
The InChIKey is KCXCFBQZWGUDQC-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H19FN4O/c1-13(27)12-25-18-11-15(8-10-23-18)20-19(14-4-6-16(22)7-5-14)21-17(26-20)3-2-9-24-21/h2-11,13,26-27H,12H2,1H3,(H,23,25)/t13-/m1/s1.
What are the key properties of (2R)-1-[[4-[3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]amino]propan-2-ol?
(2R)-1-[[4-[3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]amino]propan-2-ol has a molecular weight of 362.41 g/mol, XLogP of 4.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[4-[3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]amino]propan-2-ol is sourced from PubChem (CID 10937337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).