(2-methyl-3-pyridinyl)-[4-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)oxypiperidin-1-yl]methanone

C23H22N6O2 — CID 134811086

IUPAC(2-methyl-3-pyridinyl)-[4-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)oxypiperidin-1-yl]methanone
SMILESCc1ncccc1C(=O)N1CCC(Oc2cnc3c(ccn3-c3cncnc3)c2)CC1
InChIInChI=1S/C23H22N6O2/c1-16-21(3-2-7-26-16)23(30)28-8-5-19(6-9-28)31-20-11-17-4-10-29(22(17)27-14-20)18-12-24-15-25-13-18/h2-4,7,10-15,19H,5-6,8-9H2,1H3
InChIKeyNIBZSCXZLLGMGB-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.20
Rot. Bonds4

About (2-methyl-3-pyridinyl)-[4-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)oxypiperidin-1-yl]methanone

(2-methyl-3-pyridinyl)-[4-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)oxypiperidin-1-yl]methanone (PubChem CID 134811086) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is (2-methyl-3-pyridinyl)-[4-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyl-3-pyridinyl)-[4-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)oxypiperidin-1-yl]methanone
PubChem CID134811086
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name(2-methyl-3-pyridinyl)-[4-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)oxypiperidin-1-yl]methanone
SMILESCc1ncccc1C(=O)N1CCC(Oc2cnc3c(ccn3-c3cncnc3)c2)CC1
InChIInChI=1S/C23H22N6O2/c1-16-21(3-2-7-26-16)23(30)28-8-5-19(6-9-28)31-20-11-17-4-10-29(22(17)27-14-20)18-12-24-15-25-13-18/h2-4,7,10-15,19H,5-6,8-9H2,1H3
InChIKeyNIBZSCXZLLGMGB-UHFFFAOYSA-N
XLogP3.20
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-pyridinyl)-[4-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of (2-methyl-3-pyridinyl)-[4-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)oxypiperidin-1-yl]methanone (CID 134811086) is (2-methyl-3-pyridinyl)-[4-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for (2-methyl-3-pyridinyl)-[4-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for (2-methyl-3-pyridinyl)-[4-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)oxypiperidin-1-yl]methanone is Cc1ncccc1C(=O)N1CCC(Oc2cnc3c(ccn3-c3cncnc3)c2)CC1.
What is the InChIKey of (2-methyl-3-pyridinyl)-[4-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)oxypiperidin-1-yl]methanone?
The InChIKey is NIBZSCXZLLGMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-16-21(3-2-7-26-16)23(30)28-8-5-19(6-9-28)31-20-11-17-4-10-29(22(17)27-14-20)18-12-24-15-25-13-18/h2-4,7,10-15,19H,5-6,8-9H2,1H3.
What are the key properties of (2-methyl-3-pyridinyl)-[4-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)oxypiperidin-1-yl]methanone?
(2-methyl-3-pyridinyl)-[4-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)oxypiperidin-1-yl]methanone has a molecular weight of 414.47 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-pyridinyl)-[4-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 134811086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).