tert-butyl 2-(9-amino-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carboxylate

C20H29N5O2 — CID 121406413

IUPACtert-butyl 2-(9-amino-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1c1cc2nc3c(c(N)n2n1)CCCC3
InChIInChI=1S/C20H29N5O2/c1-20(2,3)27-19(26)24-11-7-6-10-16(24)15-12-17-22-14-9-5-4-8-13(14)18(21)25(17)23-15/h12,16H,4-11,21H2,1-3H3
InChIKeyPXZWFFABTMRFRI-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.65
Rot. Bonds1

About tert-butyl 2-(9-amino-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carboxylate

tert-butyl 2-(9-amino-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carboxylate (PubChem CID 121406413) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is tert-butyl 2-(9-amino-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(9-amino-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carboxylate
PubChem CID121406413
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Nametert-butyl 2-(9-amino-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1c1cc2nc3c(c(N)n2n1)CCCC3
InChIInChI=1S/C20H29N5O2/c1-20(2,3)27-19(26)24-11-7-6-10-16(24)15-12-17-22-14-9-5-4-8-13(14)18(21)25(17)23-15/h12,16H,4-11,21H2,1-3H3
InChIKeyPXZWFFABTMRFRI-UHFFFAOYSA-N
XLogP3.65
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2-(9-amino-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate
CID 76668456
tert-butyl 2-[5-(azetidin-1-yl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carboxylate
CID 76667892
tert-butyl (2S)-2-(7-acetamido-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate
CID 58029963
tert-butyl (2S)-2-(3-amino-1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 58029491
tert-butyl (2R)-2-(3-amino-1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 58029440
tert-butyl 2-(2,5-dimethylpyrazol-3-yl)piperidine-1-carboxylate
CID 175471053
tert-butyl (2S)-2-[7-chloro-6-[(1-ethylazetidin-3-yl)methyl]-5-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carboxylate
CID 126536895
tert-butyl (2S)-2-(3-amino-1H-pyrazol-5-yl)pyrrolidine-1-carboxylate
CID 73424849
tert-butyl 2-(6-amino-4-methyl-3-pyridinyl)pyrrolidine-1-carboxylate
CID 102542790
[5-methyl-2-(methylsulfonylmethyl)phenyl]-[2-(9-morpholin-4-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl)piperidin-1-yl]methanone
CID 159893021
tert-butyl (2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxylate;5,7-dimethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyridine
CID 157399695
tert-butyl 2-(1-aminoindol-2-yl)piperidine-1-carboxylate
CID 118037468

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(9-amino-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(9-amino-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carboxylate (CID 121406413) is tert-butyl 2-(9-amino-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(9-amino-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(9-amino-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1c1cc2nc3c(c(N)n2n1)CCCC3.
What is the InChIKey of tert-butyl 2-(9-amino-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carboxylate?
The InChIKey is PXZWFFABTMRFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-20(2,3)27-19(26)24-11-7-6-10-16(24)15-12-17-22-14-9-5-4-8-13(14)18(21)25(17)23-15/h12,16H,4-11,21H2,1-3H3.
What are the key properties of tert-butyl 2-(9-amino-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carboxylate?
tert-butyl 2-(9-amino-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carboxylate has a molecular weight of 371.49 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(9-amino-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 121406413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).