2,2-dimethyl-N-[5-[3-[4-[3-[5-(4-methyl-3-pyridinyl)-3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[4,3-b]pyridin-7-yl]piperidin-1-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide

C52H51N15O — CID 145251048

About 2,2-dimethyl-N-[5-[3-[4-[3-[5-(4-methyl-3-pyridinyl)-3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[4,3-b]pyridin-7-yl]piperidin-1-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide

2,2-dimethyl-N-[5-[3-[4-[3-[5-(4-methyl-3-pyridinyl)-3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[4,3-b]pyridin-7-yl]piperidin-1-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide (PubChem CID 145251048) has the molecular formula C52H51N15O and a molecular weight of 902.08 g/mol. Its IUPAC name is 2,2-dimethyl-N-[5-[3-[4-[3-[5-(4-methyl-3-pyridinyl)-3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[4,3-b]pyridin-7-yl]piperidin-1-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide.

Molecular Properties

• Compound Name: 2,2-dimethyl-N-[5-[3-[4-[3-[5-(4-methyl-3-pyridinyl)-3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[4,3-b]pyridin-7-yl]piperidin-1-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide
• PubChem CID: 145251048
• Molecular Formula: C52H51N15O
• Molecular Weight: 902.08 g/mol
• Exact Mass: 901.44
• IUPAC Name: 2,2-dimethyl-N-[5-[3-[4-[3-[5-(4-methyl-3-pyridinyl)-3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[4,3-b]pyridin-7-yl]piperidin-1-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide
• SMILES: Cc1ccncc1-c1cc(C2CCCN(c3nccc4[nH]c(-c5n[nH]c6ccc(-c7cncc(NC(=O)C(C)(C)C)c7)nc56)cc34)C2)c2n[nH]c(-c3cc4c(N5CCCCC5)nccc4[nH]3)c2n1
• InChI: InChI=1S/C52H51N15O/c1-29-12-15-53-27-36(29)41-22-33(44-48(61-41)47(65-63-44)43-23-34-38(59-43)13-16-55-49(34)66-18-6-5-7-19-66)30-9-8-20-67(28-30)50-35-24-42(58-39(35)14-17-56-50)46-45-40(62-64-46)11-10-37(60-45)31-21-32(26-54-25-31)57-51(68)52(2,3)4/h10-17,21-27,30,58-59H,5-9,18-20,28H2,1-4H3,(H,57,68)(H,62,64)(H,63,65)
• InChIKey: IRSGEWQUZKFDOW-UHFFFAOYSA-N
• XLogP: 10.11
• TPSA: 201.86 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	902.08
LogP ≤ 5	10.11
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[5-[3-[4-[3-[5-(4-methyl-3-pyridinyl)-3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[4,3-b]pyridin-7-yl]piperidin-1-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide?

The IUPAC name of 2,2-dimethyl-N-[5-[3-[4-[3-[5-(4-methyl-3-pyridinyl)-3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[4,3-b]pyridin-7-yl]piperidin-1-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide (CID 145251048) is 2,2-dimethyl-N-[5-[3-[4-[3-[5-(4-methyl-3-pyridinyl)-3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[4,3-b]pyridin-7-yl]piperidin-1-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide.

What is the SMILES notation for 2,2-dimethyl-N-[5-[3-[4-[3-[5-(4-methyl-3-pyridinyl)-3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[4,3-b]pyridin-7-yl]piperidin-1-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide?

The canonical SMILES for 2,2-dimethyl-N-[5-[3-[4-[3-[5-(4-methyl-3-pyridinyl)-3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[4,3-b]pyridin-7-yl]piperidin-1-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide is Cc1ccncc1-c1cc(C2CCCN(c3nccc4[nH]c(-c5n[nH]c6ccc(-c7cncc(NC(=O)C(C)(C)C)c7)nc56)cc34)C2)c2n[nH]c(-c3cc4c(N5CCCCC5)nccc4[nH]3)c2n1.

What is the InChIKey of 2,2-dimethyl-N-[5-[3-[4-[3-[5-(4-methyl-3-pyridinyl)-3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[4,3-b]pyridin-7-yl]piperidin-1-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide?

The InChIKey is IRSGEWQUZKFDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H51N15O/c1-29-12-15-53-27-36(29)41-22-33(44-48(61-41)47(65-63-44)43-23-34-38(59-43)13-16-55-49(34)66-18-6-5-7-19-66)30-9-8-20-67(28-30)50-35-24-42(58-39(35)14-17-56-50)46-45-40(62-64-46)11-10-37(60-45)31-21-32(26-54-25-31)57-51(68)52(2,3)4/h10-17,21-27,30,58-59H,5-9,18-20,28H2,1-4H3,(H,57,68)(H,62,64)(H,63,65).

What are the key properties of 2,2-dimethyl-N-[5-[3-[4-[3-[5-(4-methyl-3-pyridinyl)-3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[4,3-b]pyridin-7-yl]piperidin-1-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide?

2,2-dimethyl-N-[5-[3-[4-[3-[5-(4-methyl-3-pyridinyl)-3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[4,3-b]pyridin-7-yl]piperidin-1-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide has a molecular weight of 902.08 g/mol, XLogP of 10.11, 8 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-N-[5-[3-[4-[3-[5-(4-methyl-3-pyridinyl)-3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[4,3-b]pyridin-7-yl]piperidin-1-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 145251048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).