tert-butyl 4-[(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperidine-1-carboxylate

C17H25N5O2 — CID 66735271

IUPACtert-butyl 4-[(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Cc2cc(N)n3nccc3n2)CC1
InChIInChI=1S/C17H25N5O2/c1-17(2,3)24-16(23)21-8-5-12(6-9-21)10-13-11-14(18)22-15(20-13)4-7-19-22/h4,7,11-12H,5-6,8-10,18H2,1-3H3
InChIKeyBSVNHQXQCKEWER-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.50
Rot. Bonds2

About tert-butyl 4-[(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperidine-1-carboxylate

tert-butyl 4-[(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperidine-1-carboxylate (PubChem CID 66735271) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is tert-butyl 4-[(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperidine-1-carboxylate
PubChem CID66735271
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Nametert-butyl 4-[(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Cc2cc(N)n3nccc3n2)CC1
InChIInChI=1S/C17H25N5O2/c1-17(2,3)24-16(23)21-8-5-12(6-9-21)10-13-11-14(18)22-15(20-13)4-7-19-22/h4,7,11-12H,5-6,8-10,18H2,1-3H3
InChIKeyBSVNHQXQCKEWER-UHFFFAOYSA-N
XLogP2.50
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(Piperidin-3-yl)-3-(prop-1-ynyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224560
3-Ethyl-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53318090
5-(Piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53318088
1-methyl-3-[(1R,3R)-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]urea
CID 146558632
N-Octyl-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 12366061
1-[3-(5,7-Dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidine-4-carboxamide
CID 56814639
3-(5,7-Dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-1-(4-methoxypiperidin-1-yl)propan-1-one
CID 56814687
5-Isopropyl-7-{4-[1-(1-pyrrolidinyl)ethyl]-1-piperidinyl}pyrazolo[1,5-a]pyrimidine
CID 56891319
(3S)-1-(5-isopropylpyrazolo[1,5-a]pyrimidin-7-yl)-3-piperidinamine
CID 56907968
N-cyclopropyl-3-[1-(5-isopropylpyrazolo[1,5-a]pyrimidin-7-yl)-4-piperidinyl]propanamide
CID 56909980
5-propyl-N-[2-(tetrahydro-2H-pyran-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56915145
N-{[1-(5-isopropylpyrazolo[1,5-a]pyrimidin-7-yl)-4-piperidinyl]methyl}acetamide
CID 56916291

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperidine-1-carboxylate (CID 66735271) is tert-butyl 4-[(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Cc2cc(N)n3nccc3n2)CC1.
What is the InChIKey of tert-butyl 4-[(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperidine-1-carboxylate?
The InChIKey is BSVNHQXQCKEWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-17(2,3)24-16(23)21-8-5-12(6-9-21)10-13-11-14(18)22-15(20-13)4-7-19-22/h4,7,11-12H,5-6,8-10,18H2,1-3H3.
What are the key properties of tert-butyl 4-[(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperidine-1-carboxylate?
tert-butyl 4-[(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperidine-1-carboxylate has a molecular weight of 331.42 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 66735271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).