N-[(3-chloro-2H-pyrazolo[4,3-c]pyridin-7-yl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine

C19H21ClN6S — CID 16676779

About N-[(3-chloro-2H-pyrazolo[4,3-c]pyridin-7-yl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine

N-[(3-chloro-2H-pyrazolo[4,3-c]pyridin-7-yl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 16676779) has the molecular formula C19H21ClN6S and a molecular weight of 400.94 g/mol. Its IUPAC name is N-[(3-chloro-2H-pyrazolo[4,3-c]pyridin-7-yl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

• Compound Name: N-[(3-chloro-2H-pyrazolo[4,3-c]pyridin-7-yl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
• PubChem CID: 16676779
• Molecular Formula: C19H21ClN6S
• Molecular Weight: 400.94 g/mol
• Exact Mass: 400.12
• IUPAC Name: N-[(3-chloro-2H-pyrazolo[4,3-c]pyridin-7-yl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
• SMILES: Cc1ccc(CN(CCCn2ccnc2)Cc2cncc3c(Cl)[nH]nc23)s1
• InChI: InChI=1S/C19H21ClN6S/c1-14-3-4-16(27-14)12-26(7-2-6-25-8-5-21-13-25)11-15-9-22-10-17-18(15)23-24-19(17)20/h3-5,8-10,13H,2,6-7,11-12H2,1H3,(H,23,24)
• InChIKey: YGHIGDSGZQZLMZ-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 62.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.94
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2H-pyrazolo[4,3-c]pyridin-7-yl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine?

The IUPAC name of N-[(3-chloro-2H-pyrazolo[4,3-c]pyridin-7-yl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine (CID 16676779) is N-[(3-chloro-2H-pyrazolo[4,3-c]pyridin-7-yl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine.

What is the SMILES notation for N-[(3-chloro-2H-pyrazolo[4,3-c]pyridin-7-yl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine?

The canonical SMILES for N-[(3-chloro-2H-pyrazolo[4,3-c]pyridin-7-yl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine is Cc1ccc(CN(CCCn2ccnc2)Cc2cncc3c(Cl)[nH]nc23)s1.

What is the InChIKey of N-[(3-chloro-2H-pyrazolo[4,3-c]pyridin-7-yl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine?

The InChIKey is YGHIGDSGZQZLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6S/c1-14-3-4-16(27-14)12-26(7-2-6-25-8-5-21-13-25)11-15-9-22-10-17-18(15)23-24-19(17)20/h3-5,8-10,13H,2,6-7,11-12H2,1H3,(H,23,24).

What are the key properties of N-[(3-chloro-2H-pyrazolo[4,3-c]pyridin-7-yl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine?

N-[(3-chloro-2H-pyrazolo[4,3-c]pyridin-7-yl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 400.94 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-chloro-2H-pyrazolo[4,3-c]pyridin-7-yl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 16676779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).