4-[1-[4-(pyrrolidin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine

C19H19N7O2 — CID 69158204

IUPAC4-[1-[4-(pyrrolidin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc2cnccc2n1-c1ccc(OCC2CCCN2)cc1
InChIInChI=1S/C19H19N7O2/c20-18-17(24-28-25-18)19-23-15-10-21-9-7-16(15)26(19)13-3-5-14(6-4-13)27-11-12-2-1-8-22-12/h3-7,9-10,12,22H,1-2,8,11H2,(H2,20,25)
InChIKeyYGOFHJGTXDXRTN-UHFFFAOYSA-N
MW377.41 g/mol
LogP2.18
Rot. Bonds5

About 4-[1-[4-(pyrrolidin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine

4-[1-[4-(pyrrolidin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 69158204) has the molecular formula C19H19N7O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is 4-[1-[4-(pyrrolidin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[1-[4-(pyrrolidin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
PubChem CID69158204
Molecular FormulaC19H19N7O2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC Name4-[1-[4-(pyrrolidin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc2cnccc2n1-c1ccc(OCC2CCCN2)cc1
InChIInChI=1S/C19H19N7O2/c20-18-17(24-28-25-18)19-23-15-10-21-9-7-16(15)26(19)13-3-5-14(6-4-13)27-11-12-2-1-8-22-12/h3-7,9-10,12,22H,1-2,8,11H2,(H2,20,25)
InChIKeyYGOFHJGTXDXRTN-UHFFFAOYSA-N
XLogP2.18
TPSA116.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

4-[1-[4-(3-methylbutoxy)phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 59681820
2-[2-[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)imidazo[4,5-c]pyridin-1-yl]phenoxy]ethyl-methylamino]acetic acid
CID 11350364
(NE)-N-[1-[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)imidazo[4,5-c]pyridin-1-yl]phenyl]ethylidene]hydroxylamine
CID 87717556
3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 10535320
3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;dihydrochloride
CID 138393569
2-(phenoxymethyl)pyrrolidine;hydrochloride
CID 67802747
2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]pyridine
CID 58852476
3-chloro-4-(pyrrolidin-2-ylmethoxy)pyridine
CID 79840170
3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(cyclopropylmethyl)benzamide
CID 68873444
2-[[4-(4-methylphenoxy)phenoxy]methyl]pyrrolidine;hydrochloride
CID 69002051
2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]isoindole-1,3-dione
CID 23582860
3-chloro-2-[4-(pyrrolidin-2-ylmethoxy)phenyl]indazole
CID 68705225

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(pyrrolidin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[1-[4-(pyrrolidin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (CID 69158204) is 4-[1-[4-(pyrrolidin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[1-[4-(pyrrolidin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[1-[4-(pyrrolidin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1nc2cnccc2n1-c1ccc(OCC2CCCN2)cc1.
What is the InChIKey of 4-[1-[4-(pyrrolidin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is YGOFHJGTXDXRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2/c20-18-17(24-28-25-18)19-23-15-10-21-9-7-16(15)26(19)13-3-5-14(6-4-13)27-11-12-2-1-8-22-12/h3-7,9-10,12,22H,1-2,8,11H2,(H2,20,25).
What are the key properties of 4-[1-[4-(pyrrolidin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
4-[1-[4-(pyrrolidin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 377.41 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(pyrrolidin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 69158204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).