N-[4-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide

C23H24N4O3 — CID 138560727

IUPACN-[4-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(-c2ccc(CC(=O)N3CCOCC3)cc2)c2cc[nH]c2n1)C1CC1
InChIInChI=1S/C23H24N4O3/c28-21(27-9-11-30-12-10-27)13-15-1-3-16(4-2-15)19-14-20(26-23(29)17-5-6-17)25-22-18(19)7-8-24-22/h1-4,7-8,14,17H,5-6,9-13H2,(H2,24,25,26,29)
InChIKeyYXBHFZBHTJCPMD-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.98
Rot. Bonds5

About N-[4-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide

N-[4-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (PubChem CID 138560727) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[4-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
PubChem CID138560727
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[4-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(-c2ccc(CC(=O)N3CCOCC3)cc2)c2cc[nH]c2n1)C1CC1
InChIInChI=1S/C23H24N4O3/c28-21(27-9-11-30-12-10-27)13-15-1-3-16(4-2-15)19-14-20(26-23(29)17-5-6-17)25-22-18(19)7-8-24-22/h1-4,7-8,14,17H,5-6,9-13H2,(H2,24,25,26,29)
InChIKeyYXBHFZBHTJCPMD-UHFFFAOYSA-N
XLogP2.98
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (CID 138560727) is N-[4-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is O=C(Nc1cc(-c2ccc(CC(=O)N3CCOCC3)cc2)c2cc[nH]c2n1)C1CC1.
What is the InChIKey of N-[4-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The InChIKey is YXBHFZBHTJCPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c28-21(27-9-11-30-12-10-27)13-15-1-3-16(4-2-15)19-14-20(26-23(29)17-5-6-17)25-22-18(19)7-8-24-22/h1-4,7-8,14,17H,5-6,9-13H2,(H2,24,25,26,29).
What are the key properties of N-[4-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
N-[4-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide has a molecular weight of 404.47 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 138560727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).