(7-bromoimidazo[1,5-a]pyridin-1-yl)methanamine;tert-butyl N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]carbamate;tert-butyl N-[(7-isocyanoimidazo[1,5-a]pyridin-1-yl)methyl]carbamate;(7-isocyanoimidazo[1,5-a]pyridin-1-yl)methanamine;dihydrochloride

C44H50Br2Cl2N14O4 — CID 157301174

IUPAC(7-bromoimidazo[1,5-a]pyridin-1-yl)methanamine;tert-butyl N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]carbamate;tert-butyl N-[(7-isocyanoimidazo[1,5-a]pyridin-1-yl)methyl]carbamate;(7-isocyanoimidazo[1,5-a]pyridin-1-yl)methanamine;dihydrochloride
SMILESCC(C)(C)OC(=O)NCc1ncn2ccc(Br)cc12.Cl.Cl.NCc1ncn2ccc(Br)cc12.[C-]#[N+]c1ccn2cnc(CN)c2c1.[C-]#[N+]c1ccn2cnc(CNC(=O)OC(C)(C)C)c2c1
InChIInChI=1S/C14H16N4O2.C13H16BrN3O2.C9H8N4.C8H8BrN3.2ClH/c1-14(2,3)20-13(19)16-8-11-12-7-10(15-4)5-6-18(12)9-17-11;1-13(2,3)19-12(18)15-7-10-11-6-9(14)4-5-17(11)8-16-10;1-11-7-2-3-13-6-12-8(5-10)9(13)4-7;9-6-1-2-12-5-11-7(4-10)8(12)3-6;;/h5-7,9H,8H2,1-3H3,(H,16,19);4-6,8H,7H2,1-3H3,(H,15,18);2-4,6H,5,10H2;1-3,5H,4,10H2;2*1H
InChIKeyBFVYHBPIVFLRSB-UHFFFAOYSA-N
MW1069.69 g/mol
LogP9.77
Rot. Bonds6

About (7-bromoimidazo[1,5-a]pyridin-1-yl)methanamine;tert-butyl N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]carbamate;tert-butyl N-[(7-isocyanoimidazo[1,5-a]pyridin-1-yl)methyl]carbamate;(7-isocyanoimidazo[1,5-a]pyridin-1-yl)methanamine;dihydrochloride

(7-bromoimidazo[1,5-a]pyridin-1-yl)methanamine;tert-butyl N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]carbamate;tert-butyl N-[(7-isocyanoimidazo[1,5-a]pyridin-1-yl)methyl]carbamate;(7-isocyanoimidazo[1,5-a]pyridin-1-yl)methanamine;dihydrochloride (PubChem CID 157301174) has the molecular formula C44H50Br2Cl2N14O4 and a molecular weight of 1069.69 g/mol. Its IUPAC name is (7-bromoimidazo[1,5-a]pyridin-1-yl)methanamine;tert-butyl N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]carbamate;tert-butyl N-[(7-isocyanoimidazo[1,5-a]pyridin-1-yl)methyl]carbamate;(7-isocyanoimidazo[1,5-a]pyridin-1-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(7-bromoimidazo[1,5-a]pyridin-1-yl)methanamine;tert-butyl N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]carbamate;tert-butyl N-[(7-isocyanoimidazo[1,5-a]pyridin-1-yl)methyl]carbamate;(7-isocyanoimidazo[1,5-a]pyridin-1-yl)methanamine;dihydrochloride
PubChem CID157301174
Molecular FormulaC44H50Br2Cl2N14O4
Molecular Weight1069.69 g/mol
Exact Mass1066.19
IUPAC Name(7-bromoimidazo[1,5-a]pyridin-1-yl)methanamine;tert-butyl N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]carbamate;tert-butyl N-[(7-isocyanoimidazo[1,5-a]pyridin-1-yl)methyl]carbamate;(7-isocyanoimidazo[1,5-a]pyridin-1-yl)methanamine;dihydrochloride
SMILESCC(C)(C)OC(=O)NCc1ncn2ccc(Br)cc12.Cl.Cl.NCc1ncn2ccc(Br)cc12.[C-]#[N+]c1ccn2cnc(CN)c2c1.[C-]#[N+]c1ccn2cnc(CNC(=O)OC(C)(C)C)c2c1
InChIInChI=1S/C14H16N4O2.C13H16BrN3O2.C9H8N4.C8H8BrN3.2ClH/c1-14(2,3)20-13(19)16-8-11-12-7-10(15-4)5-6-18(12)9-17-11;1-13(2,3)19-12(18)15-7-10-11-6-9(14)4-5-17(11)8-16-10;1-11-7-2-3-13-6-12-8(5-10)9(13)4-7;9-6-1-2-12-5-11-7(4-10)8(12)3-6;;/h5-7,9H,8H2,1-3H3,(H,16,19);4-6,8H,7H2,1-3H3,(H,15,18);2-4,6H,5,10H2;1-3,5H,4,10H2;2*1H
InChIKeyBFVYHBPIVFLRSB-UHFFFAOYSA-N
XLogP9.77
TPSA206.62 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001069.69
LogP ≤ 59.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze (7-bromoimidazo[1,5-a]pyridin-1-yl)methanamine;tert-butyl N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]carbamate;tert-butyl N-[(7-isocyanoimidazo[1,5-a]pyridin-1-yl)methyl]carbamate;(7-isocyanoimidazo[1,5-a]pyridin-1-yl)methanamine;dihydrochloride with MolForge

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Related Compounds

tert-butyl (1S,4S)-5-[4-[(5-bromo-3-fluoro-2-pyridinyl)amino]pyrido[3,2-d]pyrimidin-6-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 166538650
magnesium;3-bromoimidazo[1,2-a]pyridine;tert-butyl (3R)-3-[(6-chloropyrazin-2-yl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate;6-imidazo[1,2-a]pyridin-3-yl-N-[(3R)-piperidin-3-yl]pyrazin-2-amine;propane;tributyl(chloro)stannane;tributyl(imidazo[1,2-a]pyridin-3-yl)stannane;chloride
CID 157076354
5-bromo-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;5-(dimethylamino)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;ethane
CID 157138921
3-(6-Bromo-2-pyridinyl)-6-chloro-7-methylimidazo[1,2-a]pyridine;tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[[6-(6-chloro-7-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate
CID 157272726
5-bromo-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;5-(dimethylamino)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide
CID 157407803
8-bromo-6-chloroimidazo[1,5-a]pyridine;(3-bromo-5-chloro-2-pyridinyl)methanamine;N-[(3-bromo-5-chloro-2-pyridinyl)methyl]formamide;tert-butyl 4-(6-chloroimidazo[1,5-a]pyridin-8-yl)-2,2-dimethylpiperazine-1-carboxylate;tert-butyl 2,2-dimethylpiperazine-1-carboxylate;6-chloro-8-(3,3-dimethylpiperidin-1-yl)imidazo[1,5-a]pyridine;1-[4-(6-chloroimidazo[1,5-a]pyridin-8-yl)-2,2-dimethylpiperazin-1-yl]ethanone;methane
CID 157621202
3-[[6-Bromo-3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 157826898
8-Bromo-2-iodo-[1,2,4]triazolo[1,5-a]pyridine;tert-butyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate
CID 157930342
tert-butyl 4-(methylamino)piperidine-1-carboxylate;tert-butyl 4-[methyl(5H-pyrrolo[3,2-d]pyrimidin-2-yl)amino]piperidine-1-carboxylate;2-chloro-5H-pyrrolo[3,2-d]pyrimidine
CID 158134008
7-Bromoimidazo[1,5-a]pyridine;tert-butyl 4-imidazo[1,5-a]pyridin-7-ylpiperidine-1-carboxylate;tert-butyl 4-iodopiperidine-1-carboxylate
CID 158238971
1-[[3-[1-(5-Bromo-2-pyridinyl)cyclopropyl]imidazol-4-yl]methyl]piperazine;tert-butyl 4-[[3-[1-(5-bromo-2-pyridinyl)cyclopropyl]imidazol-4-yl]methyl]piperazine-1-carboxylate
CID 158270732
tert-butyl piperazine-1-carboxylate;tert-butyl 4-(5H-pyrrolo[3,2-d]pyrimidin-2-yl)piperazine-1-carboxylate;2-chloro-5H-pyrrolo[3,2-d]pyrimidine
CID 158571726

Frequently Asked Questions

What is the IUPAC name of (7-bromoimidazo[1,5-a]pyridin-1-yl)methanamine;tert-butyl N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]carbamate;tert-butyl N-[(7-isocyanoimidazo[1,5-a]pyridin-1-yl)methyl]carbamate;(7-isocyanoimidazo[1,5-a]pyridin-1-yl)methanamine;dihydrochloride?
The IUPAC name of (7-bromoimidazo[1,5-a]pyridin-1-yl)methanamine;tert-butyl N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]carbamate;tert-butyl N-[(7-isocyanoimidazo[1,5-a]pyridin-1-yl)methyl]carbamate;(7-isocyanoimidazo[1,5-a]pyridin-1-yl)methanamine;dihydrochloride (CID 157301174) is (7-bromoimidazo[1,5-a]pyridin-1-yl)methanamine;tert-butyl N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]carbamate;tert-butyl N-[(7-isocyanoimidazo[1,5-a]pyridin-1-yl)methyl]carbamate;(7-isocyanoimidazo[1,5-a]pyridin-1-yl)methanamine;dihydrochloride.
What is the SMILES notation for (7-bromoimidazo[1,5-a]pyridin-1-yl)methanamine;tert-butyl N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]carbamate;tert-butyl N-[(7-isocyanoimidazo[1,5-a]pyridin-1-yl)methyl]carbamate;(7-isocyanoimidazo[1,5-a]pyridin-1-yl)methanamine;dihydrochloride?
The canonical SMILES for (7-bromoimidazo[1,5-a]pyridin-1-yl)methanamine;tert-butyl N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]carbamate;tert-butyl N-[(7-isocyanoimidazo[1,5-a]pyridin-1-yl)methyl]carbamate;(7-isocyanoimidazo[1,5-a]pyridin-1-yl)methanamine;dihydrochloride is CC(C)(C)OC(=O)NCc1ncn2ccc(Br)cc12.Cl.Cl.NCc1ncn2ccc(Br)cc12.[C-]#[N+]c1ccn2cnc(CN)c2c1.[C-]#[N+]c1ccn2cnc(CNC(=O)OC(C)(C)C)c2c1.
What is the InChIKey of (7-bromoimidazo[1,5-a]pyridin-1-yl)methanamine;tert-butyl N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]carbamate;tert-butyl N-[(7-isocyanoimidazo[1,5-a]pyridin-1-yl)methyl]carbamate;(7-isocyanoimidazo[1,5-a]pyridin-1-yl)methanamine;dihydrochloride?
The InChIKey is BFVYHBPIVFLRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2.C13H16BrN3O2.C9H8N4.C8H8BrN3.2ClH/c1-14(2,3)20-13(19)16-8-11-12-7-10(15-4)5-6-18(12)9-17-11;1-13(2,3)19-12(18)15-7-10-11-6-9(14)4-5-17(11)8-16-10;1-11-7-2-3-13-6-12-8(5-10)9(13)4-7;9-6-1-2-12-5-11-7(4-10)8(12)3-6;;/h5-7,9H,8H2,1-3H3,(H,16,19);4-6,8H,7H2,1-3H3,(H,15,18);2-4,6H,5,10H2;1-3,5H,4,10H2;2*1H.
What are the key properties of (7-bromoimidazo[1,5-a]pyridin-1-yl)methanamine;tert-butyl N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]carbamate;tert-butyl N-[(7-isocyanoimidazo[1,5-a]pyridin-1-yl)methyl]carbamate;(7-isocyanoimidazo[1,5-a]pyridin-1-yl)methanamine;dihydrochloride?
(7-bromoimidazo[1,5-a]pyridin-1-yl)methanamine;tert-butyl N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]carbamate;tert-butyl N-[(7-isocyanoimidazo[1,5-a]pyridin-1-yl)methyl]carbamate;(7-isocyanoimidazo[1,5-a]pyridin-1-yl)methanamine;dihydrochloride has a molecular weight of 1069.69 g/mol, XLogP of 9.77, 6 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromoimidazo[1,5-a]pyridin-1-yl)methanamine;tert-butyl N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]carbamate;tert-butyl N-[(7-isocyanoimidazo[1,5-a]pyridin-1-yl)methyl]carbamate;(7-isocyanoimidazo[1,5-a]pyridin-1-yl)methanamine;dihydrochloride is sourced from PubChem (CID 157301174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).