bromomethylcyclopropane;tert-butyl N-(cyclopropylmethyl)-N-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;tert-butyl N-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate

C36H51BrN6O4 — CID 159078932

IUPACbromomethylcyclopropane;tert-butyl N-(cyclopropylmethyl)-N-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;tert-butyl N-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate
SMILESBrCC1CC1.CCc1nn2ccccc2c1N(CC1CC1)C(=O)OC(C)(C)C.CCc1nn2ccccc2c1NC(=O)OC(C)(C)C
InChIInChI=1S/C18H25N3O2.C14H19N3O2.C4H7Br/c1-5-14-16(15-8-6-7-11-21(15)19-14)20(12-13-9-10-13)17(22)23-18(2,3)4;1-5-10-12(15-13(18)19-14(2,3)4)11-8-6-7-9-17(11)16-10;5-3-4-1-2-4/h6-8,11,13H,5,9-10,12H2,1-4H3;6-9H,5H2,1-4H3,(H,15,18);4H,1-3H2
InChIKeyKAPLAAMJTUAHKK-UHFFFAOYSA-N
MW711.75 g/mol
LogP9.08
Rot. Bonds7

About bromomethylcyclopropane;tert-butyl N-(cyclopropylmethyl)-N-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;tert-butyl N-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate

bromomethylcyclopropane;tert-butyl N-(cyclopropylmethyl)-N-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;tert-butyl N-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate (PubChem CID 159078932) has the molecular formula C36H51BrN6O4 and a molecular weight of 711.75 g/mol. Its IUPAC name is bromomethylcyclopropane;tert-butyl N-(cyclopropylmethyl)-N-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;tert-butyl N-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate.

Molecular Properties

Compound Namebromomethylcyclopropane;tert-butyl N-(cyclopropylmethyl)-N-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;tert-butyl N-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate
PubChem CID159078932
Molecular FormulaC36H51BrN6O4
Molecular Weight711.75 g/mol
Exact Mass710.32
IUPAC Namebromomethylcyclopropane;tert-butyl N-(cyclopropylmethyl)-N-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;tert-butyl N-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate
SMILESBrCC1CC1.CCc1nn2ccccc2c1N(CC1CC1)C(=O)OC(C)(C)C.CCc1nn2ccccc2c1NC(=O)OC(C)(C)C
InChIInChI=1S/C18H25N3O2.C14H19N3O2.C4H7Br/c1-5-14-16(15-8-6-7-11-21(15)19-14)20(12-13-9-10-13)17(22)23-18(2,3)4;1-5-10-12(15-13(18)19-14(2,3)4)11-8-6-7-9-17(11)16-10;5-3-4-1-2-4/h6-8,11,13H,5,9-10,12H2,1-4H3;6-9H,5H2,1-4H3,(H,15,18);4H,1-3H2
InChIKeyKAPLAAMJTUAHKK-UHFFFAOYSA-N
XLogP9.08
TPSA102.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.75
LogP ≤ 59.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze bromomethylcyclopropane;tert-butyl N-(cyclopropylmethyl)-N-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;tert-butyl N-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[4-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-6-yl]carbamate
CID 171484739
tert-butyl N-cyclopropyl-N-[1-(6-fluoro-2-methylpyrazolo[1,5-a]pyridin-4-yl)piperidin-4-yl]carbamate
CID 172303549
tert-butyl N-[3-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]carbamate
CID 176896834
Tert-butyl 4-[6-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 168263926
Tert-butyl 4-[6-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 168263945
Tert-butyl 4-[6-(1,3-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 168264015
Tert-butyl 4-[6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 168264093
Tert-butyl 4-[6-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 168264117
Tert-butyl 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 168264330
Tert-butyl 4-[6-(1-methylpyrrolidin-3-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 168264420
tert-butyl N-cyclopropylmethyl-N-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate
CID 21084192
tert-butyl 4-[4-(1H-pyrrolo[3,2-b]pyridin-6-yl)-1H-pyrazol-1-yl]piperidine-1-carboxylate
CID 58532272

Frequently Asked Questions

What is the IUPAC name of bromomethylcyclopropane;tert-butyl N-(cyclopropylmethyl)-N-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;tert-butyl N-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate?
The IUPAC name of bromomethylcyclopropane;tert-butyl N-(cyclopropylmethyl)-N-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;tert-butyl N-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate (CID 159078932) is bromomethylcyclopropane;tert-butyl N-(cyclopropylmethyl)-N-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;tert-butyl N-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate.
What is the SMILES notation for bromomethylcyclopropane;tert-butyl N-(cyclopropylmethyl)-N-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;tert-butyl N-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate?
The canonical SMILES for bromomethylcyclopropane;tert-butyl N-(cyclopropylmethyl)-N-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;tert-butyl N-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate is BrCC1CC1.CCc1nn2ccccc2c1N(CC1CC1)C(=O)OC(C)(C)C.CCc1nn2ccccc2c1NC(=O)OC(C)(C)C.
What is the InChIKey of bromomethylcyclopropane;tert-butyl N-(cyclopropylmethyl)-N-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;tert-butyl N-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate?
The InChIKey is KAPLAAMJTUAHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.C14H19N3O2.C4H7Br/c1-5-14-16(15-8-6-7-11-21(15)19-14)20(12-13-9-10-13)17(22)23-18(2,3)4;1-5-10-12(15-13(18)19-14(2,3)4)11-8-6-7-9-17(11)16-10;5-3-4-1-2-4/h6-8,11,13H,5,9-10,12H2,1-4H3;6-9H,5H2,1-4H3,(H,15,18);4H,1-3H2.
What are the key properties of bromomethylcyclopropane;tert-butyl N-(cyclopropylmethyl)-N-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;tert-butyl N-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate?
bromomethylcyclopropane;tert-butyl N-(cyclopropylmethyl)-N-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;tert-butyl N-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate has a molecular weight of 711.75 g/mol, XLogP of 9.08, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethylcyclopropane;tert-butyl N-(cyclopropylmethyl)-N-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;tert-butyl N-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate is sourced from PubChem (CID 159078932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).