4-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-propan-2-yloxypyridin-2-amine

C21H21N5O2 — CID 145127942

IUPAC4-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-propan-2-yloxypyridin-2-amine
SMILESCOc1cc(-c2c[nH]c3ncc(-c4cc(N)nc(OC(C)C)c4)cc23)ccn1
InChIInChI=1S/C21H21N5O2/c1-12(2)28-20-9-14(7-18(22)26-20)15-6-16-17(11-25-21(16)24-10-15)13-4-5-23-19(8-13)27-3/h4-12H,1-3H3,(H2,22,26)(H,24,25)
InChIKeyIGFKHSYSBJKFMG-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.06
Rot. Bonds5

About 4-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-propan-2-yloxypyridin-2-amine

4-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-propan-2-yloxypyridin-2-amine (PubChem CID 145127942) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-propan-2-yloxypyridin-2-amine.

Molecular Properties

Compound Name4-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-propan-2-yloxypyridin-2-amine
PubChem CID145127942
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name4-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-propan-2-yloxypyridin-2-amine
SMILESCOc1cc(-c2c[nH]c3ncc(-c4cc(N)nc(OC(C)C)c4)cc23)ccn1
InChIInChI=1S/C21H21N5O2/c1-12(2)28-20-9-14(7-18(22)26-20)15-6-16-17(11-25-21(16)24-10-15)13-4-5-23-19(8-13)27-3/h4-12H,1-3H3,(H2,22,26)(H,24,25)
InChIKeyIGFKHSYSBJKFMG-UHFFFAOYSA-N
XLogP4.06
TPSA98.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]prop-2-enamide
CID 122421946
(E)-3-[6-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]prop-2-enamide
CID 122421479
4-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indol-3-yl]pyridin-2-amine
CID 67960015
N-[3-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide
CID 153279968
N-[4-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-phenoxy-2-pyridinyl]prop-2-enamide
CID 122421803
(E)-2-cyano-3-[3-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide
CID 122421313
5-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 90029253
4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
CID 156782671
N-[5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-methyl-2-oxo-3-pyridinyl]prop-2-enamide
CID 122421378
N-[3-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(pyrrolidin-1-ylmethyl)phenyl]prop-2-enamide
CID 122421633
5-(3,4-dimethoxyphenyl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
CID 90029981
(E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide
CID 135238352

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-propan-2-yloxypyridin-2-amine?
The IUPAC name of 4-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-propan-2-yloxypyridin-2-amine (CID 145127942) is 4-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-propan-2-yloxypyridin-2-amine.
What is the SMILES notation for 4-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-propan-2-yloxypyridin-2-amine?
The canonical SMILES for 4-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-propan-2-yloxypyridin-2-amine is COc1cc(-c2c[nH]c3ncc(-c4cc(N)nc(OC(C)C)c4)cc23)ccn1.
What is the InChIKey of 4-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-propan-2-yloxypyridin-2-amine?
The InChIKey is IGFKHSYSBJKFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-12(2)28-20-9-14(7-18(22)26-20)15-6-16-17(11-25-21(16)24-10-15)13-4-5-23-19(8-13)27-3/h4-12H,1-3H3,(H2,22,26)(H,24,25).
What are the key properties of 4-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-propan-2-yloxypyridin-2-amine?
4-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-propan-2-yloxypyridin-2-amine has a molecular weight of 375.43 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-propan-2-yloxypyridin-2-amine is sourced from PubChem (CID 145127942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).