4-(piperidin-3-ylmethoxy)-3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridine

C17H19N5O — CID 165156703

IUPAC4-(piperidin-3-ylmethoxy)-3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridine
SMILESc1ncc(-c2c[nH]c3nccc(OCC4CCCNC4)c23)cn1
InChIInChI=1S/C17H19N5O/c1-2-12(6-18-4-1)10-23-15-3-5-21-17-16(15)14(9-22-17)13-7-19-11-20-8-13/h3,5,7-9,11-12,18H,1-2,4,6,10H2,(H,21,22)
InChIKeyBACMEOIVTBXRAB-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.40
Rot. Bonds4

About 4-(piperidin-3-ylmethoxy)-3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridine

4-(piperidin-3-ylmethoxy)-3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 165156703) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-(piperidin-3-ylmethoxy)-3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(piperidin-3-ylmethoxy)-3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID165156703
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name4-(piperidin-3-ylmethoxy)-3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridine
SMILESc1ncc(-c2c[nH]c3nccc(OCC4CCCNC4)c23)cn1
InChIInChI=1S/C17H19N5O/c1-2-12(6-18-4-1)10-23-15-3-5-21-17-16(15)14(9-22-17)13-7-19-11-20-8-13/h3,5,7-9,11-12,18H,1-2,4,6,10H2,(H,21,22)
InChIKeyBACMEOIVTBXRAB-UHFFFAOYSA-N
XLogP2.40
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-[(2-phenylphenoxy)methyl]piperidine
CID 26190683
5-iodo-4-(piperidin-3-ylmethoxy)pyrimidine
CID 66321144
2-[[(3R)-piperidin-3-yl]methoxy]pyrimidine
CID 86318074
(3S)-3-(phenoxymethyl)piperidine
CID 26190643
2-(piperidin-3-ylmethoxy)phenol;hydrochloride
CID 162016330
3-[(2-methylphenoxy)methyl]piperidine
CID 18524094
N-[[4-[4-[(1-methylpyrrolidin-3-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methyl]methanesulfonamide
CID 146333143
8-(piperidin-3-ylmethoxy)quinoline;dihydrochloride
CID 66523926
6-(2,6-difluorophenyl)-5-[4-(piperidin-3-ylmethoxy)-3-pyridinyl]pyridine-2-carboxamide
CID 174777379
N-methyl-N'-[1-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]ethane-1,2-diamine
CID 165156646
3-[(2-chlorophenoxy)methyl]piperidine;hydrochloride
CID 45074918
4-[4-[(1-acetylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-methylsulfonylbenzamide
CID 146308457

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-3-ylmethoxy)-3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(piperidin-3-ylmethoxy)-3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridine (CID 165156703) is 4-(piperidin-3-ylmethoxy)-3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(piperidin-3-ylmethoxy)-3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(piperidin-3-ylmethoxy)-3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridine is c1ncc(-c2c[nH]c3nccc(OCC4CCCNC4)c23)cn1.
What is the InChIKey of 4-(piperidin-3-ylmethoxy)-3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is BACMEOIVTBXRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-2-12(6-18-4-1)10-23-15-3-5-21-17-16(15)14(9-22-17)13-7-19-11-20-8-13/h3,5,7-9,11-12,18H,1-2,4,6,10H2,(H,21,22).
What are the key properties of 4-(piperidin-3-ylmethoxy)-3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridine?
4-(piperidin-3-ylmethoxy)-3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 309.37 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-3-ylmethoxy)-3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 165156703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).