1-(4-aminopiperidin-1-yl)prop-2-en-1-one;3-[3-(1-methyl-2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C32H35N9O — CID 176981726

About 1-(4-aminopiperidin-1-yl)prop-2-en-1-one;3-[3-(1-methyl-2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

1-(4-aminopiperidin-1-yl)prop-2-en-1-one;3-[3-(1-methyl-2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 176981726) has the molecular formula C32H35N9O and a molecular weight of 561.69 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)prop-2-en-1-one;3-[3-(1-methyl-2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 1-(4-aminopiperidin-1-yl)prop-2-en-1-one;3-[3-(1-methyl-2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• PubChem CID: 176981726
• Molecular Formula: C32H35N9O
• Molecular Weight: 561.69 g/mol
• Exact Mass: 561.30
• IUPAC Name: 1-(4-aminopiperidin-1-yl)prop-2-en-1-one;3-[3-(1-methyl-2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• SMILES: C=CC(=O)N1CCC(N)CC1.CC1CCc2cc(-n3c(-c4cccnc4N)nc4ccc(-n5cccn5)nc43)ccc21
• InChI: InChI=1S/C24H21N7.C8H14N2O/c1-15-5-6-16-14-17(7-8-18(15)16)31-23(19-4-2-11-26-22(19)25)28-20-9-10-21(29-24(20)31)30-13-3-12-27-30;1-2-8(11)10-5-3-7(9)4-6-10/h2-4,7-15H,5-6H2,1H3,(H2,25,26);2,7H,1,3-6,9H2
• InChIKey: CXGYLBSFBUMZOM-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 133.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.69
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)prop-2-en-1-one;3-[3-(1-methyl-2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The IUPAC name of 1-(4-aminopiperidin-1-yl)prop-2-en-1-one;3-[3-(1-methyl-2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 176981726) is 1-(4-aminopiperidin-1-yl)prop-2-en-1-one;3-[3-(1-methyl-2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

What is the SMILES notation for 1-(4-aminopiperidin-1-yl)prop-2-en-1-one;3-[3-(1-methyl-2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The canonical SMILES for 1-(4-aminopiperidin-1-yl)prop-2-en-1-one;3-[3-(1-methyl-2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is C=CC(=O)N1CCC(N)CC1.CC1CCc2cc(-n3c(-c4cccnc4N)nc4ccc(-n5cccn5)nc43)ccc21.

What is the InChIKey of 1-(4-aminopiperidin-1-yl)prop-2-en-1-one;3-[3-(1-methyl-2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The InChIKey is CXGYLBSFBUMZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7.C8H14N2O/c1-15-5-6-16-14-17(7-8-18(15)16)31-23(19-4-2-11-26-22(19)25)28-20-9-10-21(29-24(20)31)30-13-3-12-27-30;1-2-8(11)10-5-3-7(9)4-6-10/h2-4,7-15H,5-6H2,1H3,(H2,25,26);2,7H,1,3-6,9H2.

What are the key properties of 1-(4-aminopiperidin-1-yl)prop-2-en-1-one;3-[3-(1-methyl-2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

1-(4-aminopiperidin-1-yl)prop-2-en-1-one;3-[3-(1-methyl-2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 561.69 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-aminopiperidin-1-yl)prop-2-en-1-one;3-[3-(1-methyl-2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 176981726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).