4-(5-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-methylpiperidin-4-ol;7H-cyclopenta[b]pyridin-3-amine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;1-methylpiperidin-4-one

C40H53N11O2 — CID 161223735

About 4-(5-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-methylpiperidin-4-ol;7H-cyclopenta[b]pyridin-3-amine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;1-methylpiperidin-4-one

4-(5-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-methylpiperidin-4-ol;7H-cyclopenta[b]pyridin-3-amine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;1-methylpiperidin-4-one (PubChem CID 161223735) has the molecular formula C40H53N11O2 and a molecular weight of 719.94 g/mol. Its IUPAC name is 4-(5-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-methylpiperidin-4-ol;7H-cyclopenta[b]pyridin-3-amine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;1-methylpiperidin-4-one.

Molecular Properties

• Compound Name: 4-(5-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-methylpiperidin-4-ol;7H-cyclopenta[b]pyridin-3-amine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;1-methylpiperidin-4-one
• PubChem CID: 161223735
• Molecular Formula: C40H53N11O2
• Molecular Weight: 719.94 g/mol
• Exact Mass: 719.44
• IUPAC Name: 4-(5-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-methylpiperidin-4-ol;7H-cyclopenta[b]pyridin-3-amine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;1-methylpiperidin-4-one
• SMILES: CN1CC=C(c2c[nH]c3ncc(N)cc23)CC1.CN1CCC(=O)CC1.CN1CCC(O)(c2c[nH]c3ncc(N)cc23)CC1.Nc1cnc2c(c1)C=CC2
• InChI: InChI=1S/C13H18N4O.C13H16N4.C8H8N2.C6H11NO/c1-17-4-2-13(18,3-5-17)11-8-16-12-10(11)6-9(14)7-15-12;1-17-4-2-9(3-5-17)12-8-16-13-11(12)6-10(14)7-15-13;9-7-4-6-2-1-3-8(6)10-5-7;1-7-4-2-6(8)3-5-7/h6-8,18H,2-5,14H2,1H3,(H,15,16);2,6-8H,3-5,14H2,1H3,(H,15,16);1-2,4-5H,3,9H2;2-5H2,1H3
• InChIKey: UXVUDBGKHWWYBC-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 195.33 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 2
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	719.94
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-methylpiperidin-4-ol;7H-cyclopenta[b]pyridin-3-amine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;1-methylpiperidin-4-one?

The IUPAC name of 4-(5-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-methylpiperidin-4-ol;7H-cyclopenta[b]pyridin-3-amine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;1-methylpiperidin-4-one (CID 161223735) is 4-(5-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-methylpiperidin-4-ol;7H-cyclopenta[b]pyridin-3-amine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;1-methylpiperidin-4-one.

What is the SMILES notation for 4-(5-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-methylpiperidin-4-ol;7H-cyclopenta[b]pyridin-3-amine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;1-methylpiperidin-4-one?

The canonical SMILES for 4-(5-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-methylpiperidin-4-ol;7H-cyclopenta[b]pyridin-3-amine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;1-methylpiperidin-4-one is CN1CC=C(c2c[nH]c3ncc(N)cc23)CC1.CN1CCC(=O)CC1.CN1CCC(O)(c2c[nH]c3ncc(N)cc23)CC1.Nc1cnc2c(c1)C=CC2.

What is the InChIKey of 4-(5-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-methylpiperidin-4-ol;7H-cyclopenta[b]pyridin-3-amine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;1-methylpiperidin-4-one?

The InChIKey is UXVUDBGKHWWYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O.C13H16N4.C8H8N2.C6H11NO/c1-17-4-2-13(18,3-5-17)11-8-16-12-10(11)6-9(14)7-15-12;1-17-4-2-9(3-5-17)12-8-16-13-11(12)6-10(14)7-15-13;9-7-4-6-2-1-3-8(6)10-5-7;1-7-4-2-6(8)3-5-7/h6-8,18H,2-5,14H2,1H3,(H,15,16);2,6-8H,3-5,14H2,1H3,(H,15,16);1-2,4-5H,3,9H2;2-5H2,1H3.

What are the key properties of 4-(5-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-methylpiperidin-4-ol;7H-cyclopenta[b]pyridin-3-amine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;1-methylpiperidin-4-one?

4-(5-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-methylpiperidin-4-ol;7H-cyclopenta[b]pyridin-3-amine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;1-methylpiperidin-4-one has a molecular weight of 719.94 g/mol, XLogP of 4.44, 2 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-methylpiperidin-4-ol;7H-cyclopenta[b]pyridin-3-amine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;1-methylpiperidin-4-one is sourced from PubChem (CID 161223735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).