[3-methyl-7-(2-propan-2-yloxyanilino)-1H-pyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone

C22H26N4O3 — CID 45487736

IUPAC[3-methyl-7-(2-propan-2-yloxyanilino)-1H-pyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone
SMILESCc1c[nH]c2c(Nc3ccccc3OC(C)C)ncc(C(=O)N3CCOCC3)c12
InChIInChI=1S/C22H26N4O3/c1-14(2)29-18-7-5-4-6-17(18)25-21-20-19(15(3)12-23-20)16(13-24-21)22(27)26-8-10-28-11-9-26/h4-7,12-14,23H,8-11H2,1-3H3,(H,24,25)
InChIKeyHEGRYZZKOBXYNP-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.87
Rot. Bonds5

About [3-methyl-7-(2-propan-2-yloxyanilino)-1H-pyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone

[3-methyl-7-(2-propan-2-yloxyanilino)-1H-pyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone (PubChem CID 45487736) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is [3-methyl-7-(2-propan-2-yloxyanilino)-1H-pyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-methyl-7-(2-propan-2-yloxyanilino)-1H-pyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone
PubChem CID45487736
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name[3-methyl-7-(2-propan-2-yloxyanilino)-1H-pyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone
SMILESCc1c[nH]c2c(Nc3ccccc3OC(C)C)ncc(C(=O)N3CCOCC3)c12
InChIInChI=1S/C22H26N4O3/c1-14(2)29-18-7-5-4-6-17(18)25-21-20-19(15(3)12-23-20)16(13-24-21)22(27)26-8-10-28-11-9-26/h4-7,12-14,23H,8-11H2,1-3H3,(H,24,25)
InChIKeyHEGRYZZKOBXYNP-UHFFFAOYSA-N
XLogP3.87
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-7-(2-propan-2-yloxyanilino)-1H-pyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-methyl-7-(2-propan-2-yloxyanilino)-1H-pyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone (CID 45487736) is [3-methyl-7-(2-propan-2-yloxyanilino)-1H-pyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-methyl-7-(2-propan-2-yloxyanilino)-1H-pyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-methyl-7-(2-propan-2-yloxyanilino)-1H-pyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone is Cc1c[nH]c2c(Nc3ccccc3OC(C)C)ncc(C(=O)N3CCOCC3)c12.
What is the InChIKey of [3-methyl-7-(2-propan-2-yloxyanilino)-1H-pyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is HEGRYZZKOBXYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-14(2)29-18-7-5-4-6-17(18)25-21-20-19(15(3)12-23-20)16(13-24-21)22(27)26-8-10-28-11-9-26/h4-7,12-14,23H,8-11H2,1-3H3,(H,24,25).
What are the key properties of [3-methyl-7-(2-propan-2-yloxyanilino)-1H-pyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone?
[3-methyl-7-(2-propan-2-yloxyanilino)-1H-pyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 394.48 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-7-(2-propan-2-yloxyanilino)-1H-pyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 45487736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).