(3-hydroxy-3-propylazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone

C13H20N4O2 — CID 107219908

IUPAC(3-hydroxy-3-propylazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
SMILESCCCC1(O)CN(C(=O)C2Cc3nc[nH]c3CN2)C1
InChIInChI=1S/C13H20N4O2/c1-2-3-13(19)6-17(7-13)12(18)10-4-9-11(5-14-10)16-8-15-9/h8,10,14,19H,2-7H2,1H3,(H,15,16)
InChIKeyKOEOQEPHNQAPNT-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.20
Rot. Bonds3

About (3-hydroxy-3-propylazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone

(3-hydroxy-3-propylazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone (PubChem CID 107219908) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is (3-hydroxy-3-propylazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone.

Molecular Properties

Compound Name(3-hydroxy-3-propylazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
PubChem CID107219908
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name(3-hydroxy-3-propylazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
SMILESCCCC1(O)CN(C(=O)C2Cc3nc[nH]c3CN2)C1
InChIInChI=1S/C13H20N4O2/c1-2-3-13(19)6-17(7-13)12(18)10-4-9-11(5-14-10)16-8-15-9/h8,10,14,19H,2-7H2,1H3,(H,15,16)
InChIKeyKOEOQEPHNQAPNT-UHFFFAOYSA-N
XLogP-0.20
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-propylazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone?
The IUPAC name of (3-hydroxy-3-propylazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone (CID 107219908) is (3-hydroxy-3-propylazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone.
What is the SMILES notation for (3-hydroxy-3-propylazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone?
The canonical SMILES for (3-hydroxy-3-propylazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone is CCCC1(O)CN(C(=O)C2Cc3nc[nH]c3CN2)C1.
What is the InChIKey of (3-hydroxy-3-propylazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone?
The InChIKey is KOEOQEPHNQAPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-3-13(19)6-17(7-13)12(18)10-4-9-11(5-14-10)16-8-15-9/h8,10,14,19H,2-7H2,1H3,(H,15,16).
What are the key properties of (3-hydroxy-3-propylazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone?
(3-hydroxy-3-propylazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone has a molecular weight of 264.33 g/mol, XLogP of -0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-propylazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone is sourced from PubChem (CID 107219908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).