2-amino-5-bromopyridine-3-carbaldehyde;6-azaspiro[2.5]octane;3-[[2-(6-azaspiro[2.5]octan-6-yl)ethylamino]methyl]-5-bromopyridin-2-amine;3-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]-6-bromo-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;3-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]-6-[(E)-3-oxo-3-[4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;N-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]-2,2,2-trifluoroacetamide;tert-butyl 4-(6-azaspiro[2.5]octan-6-yl)butanoate;dihydrobromide

C99H143Br5F3N19O7S — CID 162117491

About 2-amino-5-bromopyridine-3-carbaldehyde;6-azaspiro[2.5]octane;3-[[2-(6-azaspiro[2.5]octan-6-yl)ethylamino]methyl]-5-bromopyridin-2-amine;3-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]-6-bromo-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;3-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]-6-[(E)-3-oxo-3-[4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;N-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]-2,2,2-trifluoroacetamide;tert-butyl 4-(6-azaspiro[2.5]octan-6-yl)butanoate;dihydrobromide

2-amino-5-bromopyridine-3-carbaldehyde;6-azaspiro[2.5]octane;3-[[2-(6-azaspiro[2.5]octan-6-yl)ethylamino]methyl]-5-bromopyridin-2-amine;3-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]-6-bromo-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;3-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]-6-[(E)-3-oxo-3-[4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;N-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]-2,2,2-trifluoroacetamide;tert-butyl 4-(6-azaspiro[2.5]octan-6-yl)butanoate;dihydrobromide (PubChem CID 162117491) has the molecular formula C99H143Br5F3N19O7S and a molecular weight of 2199.94 g/mol. Its IUPAC name is 2-amino-5-bromopyridine-3-carbaldehyde;6-azaspiro[2.5]octane;3-[[2-(6-azaspiro[2.5]octan-6-yl)ethylamino]methyl]-5-bromopyridin-2-amine;3-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]-6-bromo-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;3-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]-6-[(E)-3-oxo-3-[4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;N-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]-2,2,2-trifluoroacetamide;tert-butyl 4-(6-azaspiro[2.5]octan-6-yl)butanoate;dihydrobromide.

Molecular Properties

• Compound Name: 2-amino-5-bromopyridine-3-carbaldehyde;6-azaspiro[2.5]octane;3-[[2-(6-azaspiro[2.5]octan-6-yl)ethylamino]methyl]-5-bromopyridin-2-amine;3-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]-6-bromo-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;3-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]-6-[(E)-3-oxo-3-[4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;N-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]-2,2,2-trifluoroacetamide;tert-butyl 4-(6-azaspiro[2.5]octan-6-yl)butanoate;dihydrobromide
• PubChem CID: 162117491
• Molecular Formula: C99H143Br5F3N19O7S
• Molecular Weight: 2199.94 g/mol
• Exact Mass: 2193.70
• IUPAC Name: 2-amino-5-bromopyridine-3-carbaldehyde;6-azaspiro[2.5]octane;3-[[2-(6-azaspiro[2.5]octan-6-yl)ethylamino]methyl]-5-bromopyridin-2-amine;3-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]-6-bromo-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;3-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]-6-[(E)-3-oxo-3-[4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;N-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]-2,2,2-trifluoroacetamide;tert-butyl 4-(6-azaspiro[2.5]octan-6-yl)butanoate;dihydrobromide
• SMILES: Br.Br.C1CC2(CCN1)CC2.CC(C)(C)OC(=O)CCCN1CCC2(CC1)CC2.Nc1ncc(Br)cc1C=O.Nc1ncc(Br)cc1CNCCN1CCC2(CC1)CC2.O=C(/C=C/c1cnc2c(c1)CN(CCN1CCC3(CC1)CC3)C(=O)N2)N1CC=C(Cc2cccs2)CC1.O=C(NCCN1CCC2(CC1)CC2)C(F)(F)F.O=C1Nc2ncc(Br)cc2CN1CCN1CCC2(CC1)CC2
• InChI: InChI=1S/C29H35N5O2S.C16H21BrN4O.C15H23BrN4.C15H27NO2.C11H17F3N2O.C7H13N.C6H5BrN2O.2BrH/c35-26(33-11-5-22(6-12-33)19-25-2-1-17-37-25)4-3-23-18-24-21-34(28(36)31-27(24)30-20-23)16-15-32-13-9-29(7-8-29)10-14-32;17-13-9-12-11-21(15(22)19-14(12)18-10-13)8-7-20-5-3-16(1-2-16)4-6-20;16-13-9-12(14(17)19-11-13)10-18-5-8-20-6-3-15(1-2-15)4-7-20;1-14(2,3)18-13(17)5-4-10-16-11-8-15(6-7-15)9-12-16;12-11(13,14)9(17)15-5-8-16-6-3-10(1-2-10)4-7-16;1-2-7(1)3-5-8-6-4-7;7-5-1-4(3-10)6(8)9-2-5;;/h1-5,17-18,20H,6-16,19,21H2,(H,30,31,36);9-10H,1-8,11H2,(H,18,19,22);9,11,18H,1-8,10H2,(H2,17,19);4-12H2,1-3H3;1-8H2,(H,15,17);8H,1-6H2;1-3H,(H2,8,9);2*1H/b4-3+
• InChIKey: PEWRSOAVLIOTRF-FSEHQYEXSA-N
• XLogP: 18.31
• TPSA: 301.32 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 23
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2199.94
LogP ≤ 5	18.31
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromopyridine-3-carbaldehyde;6-azaspiro[2.5]octane;3-[[2-(6-azaspiro[2.5]octan-6-yl)ethylamino]methyl]-5-bromopyridin-2-amine;3-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]-6-bromo-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;3-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]-6-[(E)-3-oxo-3-[4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;N-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]-2,2,2-trifluoroacetamide;tert-butyl 4-(6-azaspiro[2.5]octan-6-yl)butanoate;dihydrobromide?

The IUPAC name of 2-amino-5-bromopyridine-3-carbaldehyde;6-azaspiro[2.5]octane;3-[[2-(6-azaspiro[2.5]octan-6-yl)ethylamino]methyl]-5-bromopyridin-2-amine;3-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]-6-bromo-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;3-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]-6-[(E)-3-oxo-3-[4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;N-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]-2,2,2-trifluoroacetamide;tert-butyl 4-(6-azaspiro[2.5]octan-6-yl)butanoate;dihydrobromide (CID 162117491) is 2-amino-5-bromopyridine-3-carbaldehyde;6-azaspiro[2.5]octane;3-[[2-(6-azaspiro[2.5]octan-6-yl)ethylamino]methyl]-5-bromopyridin-2-amine;3-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]-6-bromo-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;3-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]-6-[(E)-3-oxo-3-[4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;N-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]-2,2,2-trifluoroacetamide;tert-butyl 4-(6-azaspiro[2.5]octan-6-yl)butanoate;dihydrobromide.

What is the SMILES notation for 2-amino-5-bromopyridine-3-carbaldehyde;6-azaspiro[2.5]octane;3-[[2-(6-azaspiro[2.5]octan-6-yl)ethylamino]methyl]-5-bromopyridin-2-amine;3-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]-6-bromo-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;3-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]-6-[(E)-3-oxo-3-[4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;N-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]-2,2,2-trifluoroacetamide;tert-butyl 4-(6-azaspiro[2.5]octan-6-yl)butanoate;dihydrobromide?

The canonical SMILES for 2-amino-5-bromopyridine-3-carbaldehyde;6-azaspiro[2.5]octane;3-[[2-(6-azaspiro[2.5]octan-6-yl)ethylamino]methyl]-5-bromopyridin-2-amine;3-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]-6-bromo-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;3-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]-6-[(E)-3-oxo-3-[4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;N-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]-2,2,2-trifluoroacetamide;tert-butyl 4-(6-azaspiro[2.5]octan-6-yl)butanoate;dihydrobromide is Br.Br.C1CC2(CCN1)CC2.CC(C)(C)OC(=O)CCCN1CCC2(CC1)CC2.Nc1ncc(Br)cc1C=O.Nc1ncc(Br)cc1CNCCN1CCC2(CC1)CC2.O=C(/C=C/c1cnc2c(c1)CN(CCN1CCC3(CC1)CC3)C(=O)N2)N1CC=C(Cc2cccs2)CC1.O=C(NCCN1CCC2(CC1)CC2)C(F)(F)F.O=C1Nc2ncc(Br)cc2CN1CCN1CCC2(CC1)CC2.

What is the InChIKey of 2-amino-5-bromopyridine-3-carbaldehyde;6-azaspiro[2.5]octane;3-[[2-(6-azaspiro[2.5]octan-6-yl)ethylamino]methyl]-5-bromopyridin-2-amine;3-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]-6-bromo-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;3-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]-6-[(E)-3-oxo-3-[4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;N-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]-2,2,2-trifluoroacetamide;tert-butyl 4-(6-azaspiro[2.5]octan-6-yl)butanoate;dihydrobromide?

The InChIKey is PEWRSOAVLIOTRF-FSEHQYEXSA-N. The full InChI is InChI=1S/C29H35N5O2S.C16H21BrN4O.C15H23BrN4.C15H27NO2.C11H17F3N2O.C7H13N.C6H5BrN2O.2BrH/c35-26(33-11-5-22(6-12-33)19-25-2-1-17-37-25)4-3-23-18-24-21-34(28(36)31-27(24)30-20-23)16-15-32-13-9-29(7-8-29)10-14-32;17-13-9-12-11-21(15(22)19-14(12)18-10-13)8-7-20-5-3-16(1-2-16)4-6-20;16-13-9-12(14(17)19-11-13)10-18-5-8-20-6-3-15(1-2-15)4-7-20;1-14(2,3)18-13(17)5-4-10-16-11-8-15(6-7-15)9-12-16;12-11(13,14)9(17)15-5-8-16-6-3-10(1-2-10)4-7-16;1-2-7(1)3-5-8-6-4-7;7-5-1-4(3-10)6(8)9-2-5;;/h1-5,17-18,20H,6-16,19,21H2,(H,30,31,36);9-10H,1-8,11H2,(H,18,19,22);9,11,18H,1-8,10H2,(H2,17,19);4-12H2,1-3H3;1-8H2,(H,15,17);8H,1-6H2;1-3H,(H2,8,9);2*1H/b4-3+;;;;;;;;.

What are the key properties of 2-amino-5-bromopyridine-3-carbaldehyde;6-azaspiro[2.5]octane;3-[[2-(6-azaspiro[2.5]octan-6-yl)ethylamino]methyl]-5-bromopyridin-2-amine;3-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]-6-bromo-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;3-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]-6-[(E)-3-oxo-3-[4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;N-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]-2,2,2-trifluoroacetamide;tert-butyl 4-(6-azaspiro[2.5]octan-6-yl)butanoate;dihydrobromide?

2-amino-5-bromopyridine-3-carbaldehyde;6-azaspiro[2.5]octane;3-[[2-(6-azaspiro[2.5]octan-6-yl)ethylamino]methyl]-5-bromopyridin-2-amine;3-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]-6-bromo-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;3-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]-6-[(E)-3-oxo-3-[4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;N-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]-2,2,2-trifluoroacetamide;tert-butyl 4-(6-azaspiro[2.5]octan-6-yl)butanoate;dihydrobromide has a molecular weight of 2199.94 g/mol, XLogP of 18.31, 23 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-bromopyridine-3-carbaldehyde;6-azaspiro[2.5]octane;3-[[2-(6-azaspiro[2.5]octan-6-yl)ethylamino]methyl]-5-bromopyridin-2-amine;3-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]-6-bromo-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;3-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]-6-[(E)-3-oxo-3-[4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;N-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]-2,2,2-trifluoroacetamide;tert-butyl 4-(6-azaspiro[2.5]octan-6-yl)butanoate;dihydrobromide is sourced from PubChem (CID 162117491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).