morpholin-4-yl-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone

C20H28N4O3 — CID 16727359

IUPACmorpholin-4-yl-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone
SMILESCC(C)N1CCC(Oc2cnc3[nH]c(C(=O)N4CCOCC4)cc3c2)CC1
InChIInChI=1S/C20H28N4O3/c1-14(2)23-5-3-16(4-6-23)27-17-11-15-12-18(22-19(15)21-13-17)20(25)24-7-9-26-10-8-24/h11-14,16H,3-10H2,1-2H3,(H,21,22)
InChIKeyHLPPWTZKZWLNGE-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.29
Rot. Bonds4

About morpholin-4-yl-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone

morpholin-4-yl-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone (PubChem CID 16727359) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is morpholin-4-yl-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone
PubChem CID16727359
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Namemorpholin-4-yl-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone
SMILESCC(C)N1CCC(Oc2cnc3[nH]c(C(=O)N4CCOCC4)cc3c2)CC1
InChIInChI=1S/C20H28N4O3/c1-14(2)23-5-3-16(4-6-23)27-17-11-15-12-18(22-19(15)21-13-17)20(25)24-7-9-26-10-8-24/h11-14,16H,3-10H2,1-2H3,(H,21,22)
InChIKeyHLPPWTZKZWLNGE-UHFFFAOYSA-N
XLogP2.29
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone?
The IUPAC name of morpholin-4-yl-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone (CID 16727359) is morpholin-4-yl-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone?
The canonical SMILES for morpholin-4-yl-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone is CC(C)N1CCC(Oc2cnc3[nH]c(C(=O)N4CCOCC4)cc3c2)CC1.
What is the InChIKey of morpholin-4-yl-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone?
The InChIKey is HLPPWTZKZWLNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-14(2)23-5-3-16(4-6-23)27-17-11-15-12-18(22-19(15)21-13-17)20(25)24-7-9-26-10-8-24/h11-14,16H,3-10H2,1-2H3,(H,21,22).
What are the key properties of morpholin-4-yl-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone?
morpholin-4-yl-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone has a molecular weight of 372.47 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone is sourced from PubChem (CID 16727359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).