(tert-butylamino)-[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methanol

C23H24N4O — CID 134402673

IUPAC(tert-butylamino)-[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methanol
SMILESCC(C)(C)NC(O)c1cccc(-c2cnc3[nH]c(-c4ccccc4)cc3c2)n1
InChIInChI=1S/C23H24N4O/c1-23(2,3)27-22(28)19-11-7-10-18(25-19)17-12-16-13-20(26-21(16)24-14-17)15-8-5-4-6-9-15/h4-14,22,27-28H,1-3H3,(H,24,26)
InChIKeyFQUQSHQXZOKXBQ-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.67
Rot. Bonds4

About (tert-butylamino)-[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methanol

(tert-butylamino)-[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methanol (PubChem CID 134402673) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is (tert-butylamino)-[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name(tert-butylamino)-[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methanol
PubChem CID134402673
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name(tert-butylamino)-[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methanol
SMILESCC(C)(C)NC(O)c1cccc(-c2cnc3[nH]c(-c4ccccc4)cc3c2)n1
InChIInChI=1S/C23H24N4O/c1-23(2,3)27-22(28)19-11-7-10-18(25-19)17-12-16-13-20(26-21(16)24-14-17)15-8-5-4-6-9-15/h4-14,22,27-28H,1-3H3,(H,24,26)
InChIKeyFQUQSHQXZOKXBQ-UHFFFAOYSA-N
XLogP4.67
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (tert-butylamino)-[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methanol?
The IUPAC name of (tert-butylamino)-[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methanol (CID 134402673) is (tert-butylamino)-[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methanol.
What is the SMILES notation for (tert-butylamino)-[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methanol?
The canonical SMILES for (tert-butylamino)-[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methanol is CC(C)(C)NC(O)c1cccc(-c2cnc3[nH]c(-c4ccccc4)cc3c2)n1.
What is the InChIKey of (tert-butylamino)-[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methanol?
The InChIKey is FQUQSHQXZOKXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-23(2,3)27-22(28)19-11-7-10-18(25-19)17-12-16-13-20(26-21(16)24-14-17)15-8-5-4-6-9-15/h4-14,22,27-28H,1-3H3,(H,24,26).
What are the key properties of (tert-butylamino)-[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methanol?
(tert-butylamino)-[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methanol has a molecular weight of 372.47 g/mol, XLogP of 4.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (tert-butylamino)-[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methanol is sourced from PubChem (CID 134402673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).