tert-butyl 4-[[5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]piperidine-1-carboxylate

C23H29N7O3 — CID 66677001

IUPACtert-butyl 4-[[5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]piperidine-1-carboxylate
SMILESCN(c1cccnc1)c1ccn2ncc(C(=O)NC3CCN(C(=O)OC(C)(C)C)CC3)c2n1
InChIInChI=1S/C23H29N7O3/c1-23(2,3)33-22(32)29-11-7-16(8-12-29)26-21(31)18-15-25-30-13-9-19(27-20(18)30)28(4)17-6-5-10-24-14-17/h5-6,9-10,13-16H,7-8,11-12H2,1-4H3,(H,26,31)
InChIKeyVDHWIDFKKIBNEC-UHFFFAOYSA-N
MW451.53 g/mol
LogP3.02
Rot. Bonds4

About tert-butyl 4-[[5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]piperidine-1-carboxylate

tert-butyl 4-[[5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 66677001) has the molecular formula C23H29N7O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is tert-butyl 4-[[5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]piperidine-1-carboxylate
PubChem CID66677001
Molecular FormulaC23H29N7O3
Molecular Weight451.53 g/mol
Exact Mass451.23
IUPAC Nametert-butyl 4-[[5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]piperidine-1-carboxylate
SMILESCN(c1cccnc1)c1ccn2ncc(C(=O)NC3CCN(C(=O)OC(C)(C)C)CC3)c2n1
InChIInChI=1S/C23H29N7O3/c1-23(2,3)33-22(32)29-11-7-16(8-12-29)26-21(31)18-15-25-30-13-9-19(27-20(18)30)28(4)17-6-5-10-24-14-17/h5-6,9-10,13-16H,7-8,11-12H2,1-4H3,(H,26,31)
InChIKeyVDHWIDFKKIBNEC-UHFFFAOYSA-N
XLogP3.02
TPSA104.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[[5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

N-(4,4-dimethylcyclohexyl)-5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66677712
N-(2-bicyclo[2.2.1]heptanyl)-5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66677604
4-[[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]piperidine-1-carboxylic acid
CID 123188164
tert-butyl 4-[(2-pyridin-3-yloxyacetyl)amino]piperidine-1-carboxylate
CID 69321662
tert-butyl 4-[[2-(methylamino)benzoyl]amino]piperidine-1-carboxylate
CID 126805389
methyl 4-[[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]cyclohexane-1-carboxylate
CID 58063032
tert-butyl 4-[[1-(4-bromophenyl)-5-methylpyrazole-4-carbonyl]amino]piperidine-1-carboxylate
CID 52731132
N-(4-hydroxycyclohexyl)-5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063200
tert-butyl 4-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 47072487
tert-butyl 4-[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]piperidine-1-carboxylate
CID 52731094
tert-butyl 4-[(6-imidazol-1-ylpyridine-2-carbonyl)amino]piperidine-1-carboxylate
CID 166481495
tert-butyl 4-(pyridin-3-ylmethylamino)piperidine-1-carboxylate
CID 2761049

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]piperidine-1-carboxylate (CID 66677001) is tert-butyl 4-[[5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]piperidine-1-carboxylate is CN(c1cccnc1)c1ccn2ncc(C(=O)NC3CCN(C(=O)OC(C)(C)C)CC3)c2n1.
What is the InChIKey of tert-butyl 4-[[5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is VDHWIDFKKIBNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O3/c1-23(2,3)33-22(32)29-11-7-16(8-12-29)26-21(31)18-15-25-30-13-9-19(27-20(18)30)28(4)17-6-5-10-24-14-17/h5-6,9-10,13-16H,7-8,11-12H2,1-4H3,(H,26,31).
What are the key properties of tert-butyl 4-[[5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]piperidine-1-carboxylate?
tert-butyl 4-[[5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 451.53 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 66677001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).