[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-7-yl]-[(3S)-3-aminopyrrolidin-1-yl]methanone;dihydrochloride

C17H22Cl2N8O2 — CID 91800591

About [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-7-yl]-[(3S)-3-aminopyrrolidin-1-yl]methanone;dihydrochloride

[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-7-yl]-[(3S)-3-aminopyrrolidin-1-yl]methanone;dihydrochloride (PubChem CID 91800591) has the molecular formula C17H22Cl2N8O2 and a molecular weight of 441.32 g/mol. Its IUPAC name is [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-7-yl]-[(3S)-3-aminopyrrolidin-1-yl]methanone;dihydrochloride.

Molecular Properties

• Compound Name: [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-7-yl]-[(3S)-3-aminopyrrolidin-1-yl]methanone;dihydrochloride
• PubChem CID: 91800591
• Molecular Formula: C17H22Cl2N8O2
• Molecular Weight: 441.32 g/mol
• Exact Mass: 440.12
• IUPAC Name: [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-7-yl]-[(3S)-3-aminopyrrolidin-1-yl]methanone;dihydrochloride
• SMILES: Cl.Cl.Nc1nonc1-c1nc2cncc(C(=O)N3CC[C@H](N)C3)c2n1CC1CC1
• InChI: InChI=1S/C17H20N8O2.2ClH/c18-10-3-4-24(8-10)17(26)11-5-20-6-12-14(11)25(7-9-1-2-9)16(21-12)13-15(19)23-27-22-13;;/h5-6,9-10H,1-4,7-8,18H2,(H2,19,23);2*1H/t10-;;/m0../s1
• InChIKey: NFTLDXCJSWJREQ-XRIOVQLTSA-N
• XLogP: 1.49
• TPSA: 141.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.32
LogP ≤ 5	1.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-7-yl]-[(3S)-3-aminopyrrolidin-1-yl]methanone;dihydrochloride?

The IUPAC name of [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-7-yl]-[(3S)-3-aminopyrrolidin-1-yl]methanone;dihydrochloride (CID 91800591) is [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-7-yl]-[(3S)-3-aminopyrrolidin-1-yl]methanone;dihydrochloride.

What is the SMILES notation for [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-7-yl]-[(3S)-3-aminopyrrolidin-1-yl]methanone;dihydrochloride?

The canonical SMILES for [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-7-yl]-[(3S)-3-aminopyrrolidin-1-yl]methanone;dihydrochloride is Cl.Cl.Nc1nonc1-c1nc2cncc(C(=O)N3CC[C@H](N)C3)c2n1CC1CC1.

What is the InChIKey of [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-7-yl]-[(3S)-3-aminopyrrolidin-1-yl]methanone;dihydrochloride?

The InChIKey is NFTLDXCJSWJREQ-XRIOVQLTSA-N. The full InChI is InChI=1S/C17H20N8O2.2ClH/c18-10-3-4-24(8-10)17(26)11-5-20-6-12-14(11)25(7-9-1-2-9)16(21-12)13-15(19)23-27-22-13;;/h5-6,9-10H,1-4,7-8,18H2,(H2,19,23);2*1H/t10-;;/m0../s1.

What are the key properties of [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-7-yl]-[(3S)-3-aminopyrrolidin-1-yl]methanone;dihydrochloride?

[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-7-yl]-[(3S)-3-aminopyrrolidin-1-yl]methanone;dihydrochloride has a molecular weight of 441.32 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-7-yl]-[(3S)-3-aminopyrrolidin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 91800591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).