tert-butyl 3-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate

C20H26N4O3 — CID 171941708

IUPACtert-butyl 3-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCc1cc2ncc(C(=O)C3CC4CCC(C3)N4C(=O)OC(C)(C)C)cn2n1
InChIInChI=1S/C20H26N4O3/c1-12-7-17-21-10-14(11-23(17)22-12)18(25)13-8-15-5-6-16(9-13)24(15)19(26)27-20(2,3)4/h7,10-11,13,15-16H,5-6,8-9H2,1-4H3
InChIKeyVHVAJWBJAOYGTI-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.40
Rot. Bonds2

About tert-butyl 3-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate

tert-butyl 3-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 171941708) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is tert-butyl 3-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID171941708
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Nametert-butyl 3-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCc1cc2ncc(C(=O)C3CC4CCC(C3)N4C(=O)OC(C)(C)C)cn2n1
InChIInChI=1S/C20H26N4O3/c1-12-7-17-21-10-14(11-23(17)22-12)18(25)13-8-15-5-6-16(9-13)24(15)19(26)27-20(2,3)4/h7,10-11,13,15-16H,5-6,8-9H2,1-4H3
InChIKeyVHVAJWBJAOYGTI-UHFFFAOYSA-N
XLogP3.40
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 3-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate 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

(1',1'-Difluorospiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 137934567
2-(1-(Tert-butoxycarbonyl)piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 57899693
4-[(3-Butanoylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]pyrrolidin-2-one
CID 129298483
tert-butyl 3-[3-[(E)-3-(dimethylamino)prop-2-enoyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
CID 167436055
Tert-butyl 3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate
CID 167436132
3-(3-Acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylic acid
CID 174191780
3-(3-Acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2-tert-butylpiperidine-1-carboxylic acid
CID 175378482
3-[3-[(E)-3-(dimethylamino)prop-2-enoyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid
CID 175378512
3-[3-[3-(Dimethylamino)prop-2-enoyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid
CID 175378514
3-[1-(2,7-Dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 3588691
(4R)-4-[(2S)-butan-2-yl]-3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 24046298
(4R)-3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 24159478

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of tert-butyl 3-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 171941708) is tert-butyl 3-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for tert-butyl 3-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate is Cc1cc2ncc(C(=O)C3CC4CCC(C3)N4C(=O)OC(C)(C)C)cn2n1.
What is the InChIKey of tert-butyl 3-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is VHVAJWBJAOYGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-12-7-17-21-10-14(11-23(17)22-12)18(25)13-8-15-5-6-16(9-13)24(15)19(26)27-20(2,3)4/h7,10-11,13,15-16H,5-6,8-9H2,1-4H3.
What are the key properties of tert-butyl 3-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
tert-butyl 3-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 370.45 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 171941708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).