N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-3-methyl-2H-indazol-5-amine

C22H27ClN6 — CID 75585881

About N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-3-methyl-2H-indazol-5-amine

N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-3-methyl-2H-indazol-5-amine (PubChem CID 75585881) has the molecular formula C22H27ClN6 and a molecular weight of 410.95 g/mol. Its IUPAC name is N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-3-methyl-2H-indazol-5-amine.

Molecular Properties

• Compound Name: N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-3-methyl-2H-indazol-5-amine
• PubChem CID: 75585881
• Molecular Formula: C22H27ClN6
• Molecular Weight: 410.95 g/mol
• Exact Mass: 410.20
• IUPAC Name: N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-3-methyl-2H-indazol-5-amine
• SMILES: Cc1[nH]nc2ccc(NCCC3CC3C3CCN(c4ncc(Cl)cn4)CC3)cc12
• InChI: InChI=1S/C22H27ClN6/c1-14-19-11-18(2-3-21(19)28-27-14)24-7-4-16-10-20(16)15-5-8-29(9-6-15)22-25-12-17(23)13-26-22/h2-3,11-13,15-16,20,24H,4-10H2,1H3,(H,27,28)
• InChIKey: RENUQUSTOJBQOH-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 69.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.95
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-3-methyl-2H-indazol-5-amine?

The IUPAC name of N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-3-methyl-2H-indazol-5-amine (CID 75585881) is N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-3-methyl-2H-indazol-5-amine.

What is the SMILES notation for N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-3-methyl-2H-indazol-5-amine?

The canonical SMILES for N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-3-methyl-2H-indazol-5-amine is Cc1[nH]nc2ccc(NCCC3CC3C3CCN(c4ncc(Cl)cn4)CC3)cc12.

What is the InChIKey of N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-3-methyl-2H-indazol-5-amine?

The InChIKey is RENUQUSTOJBQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN6/c1-14-19-11-18(2-3-21(19)28-27-14)24-7-4-16-10-20(16)15-5-8-29(9-6-15)22-25-12-17(23)13-26-22/h2-3,11-13,15-16,20,24H,4-10H2,1H3,(H,27,28).

What are the key properties of N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-3-methyl-2H-indazol-5-amine?

N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-3-methyl-2H-indazol-5-amine has a molecular weight of 410.95 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-3-methyl-2H-indazol-5-amine is sourced from PubChem (CID 75585881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).