benzyl 3-(7-amino-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate

C22H25N5O2 — CID 23539625

IUPACbenzyl 3-(7-amino-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate
SMILESNc1cc(C2CCCN(C(=O)OCc3ccccc3)C2)nc2c(C3CC3)cnn12
InChIInChI=1S/C22H25N5O2/c23-20-11-19(25-21-18(16-8-9-16)12-24-27(20)21)17-7-4-10-26(13-17)22(28)29-14-15-5-2-1-3-6-15/h1-3,5-6,11-12,16-17H,4,7-10,13-14,23H2
InChIKeyKJWRZIFMPVGFPG-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.71
Rot. Bonds4

About benzyl 3-(7-amino-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate

benzyl 3-(7-amino-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate (PubChem CID 23539625) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is benzyl 3-(7-amino-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-(7-amino-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate
PubChem CID23539625
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Namebenzyl 3-(7-amino-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate
SMILESNc1cc(C2CCCN(C(=O)OCc3ccccc3)C2)nc2c(C3CC3)cnn12
InChIInChI=1S/C22H25N5O2/c23-20-11-19(25-21-18(16-8-9-16)12-24-27(20)21)17-7-4-10-26(13-17)22(28)29-14-15-5-2-1-3-6-15/h1-3,5-6,11-12,16-17H,4,7-10,13-14,23H2
InChIKeyKJWRZIFMPVGFPG-UHFFFAOYSA-N
XLogP3.71
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 3-[3-cyclopropyl-7-(pyridine-3-carbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 23539627
benzyl 3-[7-methylsulfinyl-3-[(E)-2-phenylethenyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 58972420
benzyl (3S)-3-[3-bromo-7-[4-(1-fluoroethylsulfonyl)anilino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 71192944
benzyl 3-(3-formyl-7-methylsulfanylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;benzyl 3-(7-methylsulfanylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate
CID 159093195
benzyl 3-(6-cyano-2-pyridinyl)piperidine-1-carboxylate
CID 70918816
benzyl (3S)-3-(4-fluoro-2-methylphenyl)piperidine-1-carboxylate
CID 143163526
1-O-benzyl 2-O-methyl 5-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1,2-dicarboxylate
CID 58173316
benzyl 3-(7-methylsulfanylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;7-methylsulfanyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine
CID 157155661
benzyl 3-aminooxypiperidine-1-carboxylate;hydrochloride
CID 19077314
benzyl 3-methylpiperidine-1-carboxylate;ethane
CID 144599174
benzyl 3-(4-acetylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 110678504
benzyl (3R)-4-amino-3-hydroxyazepane-1-carboxylate
CID 67555799

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(7-amino-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate?
The IUPAC name of benzyl 3-(7-amino-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate (CID 23539625) is benzyl 3-(7-amino-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 3-(7-amino-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 3-(7-amino-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate is Nc1cc(C2CCCN(C(=O)OCc3ccccc3)C2)nc2c(C3CC3)cnn12.
What is the InChIKey of benzyl 3-(7-amino-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate?
The InChIKey is KJWRZIFMPVGFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c23-20-11-19(25-21-18(16-8-9-16)12-24-27(20)21)17-7-4-10-26(13-17)22(28)29-14-15-5-2-1-3-6-15/h1-3,5-6,11-12,16-17H,4,7-10,13-14,23H2.
What are the key properties of benzyl 3-(7-amino-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate?
benzyl 3-(7-amino-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate has a molecular weight of 391.48 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(7-amino-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate is sourced from PubChem (CID 23539625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).