tert-butyl N-[[5-(phenylcarbamoyl)-2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)phenyl]-piperidin-4-ylmethyl]carbamate

C31H35N7O4 — CID 66665116

IUPACtert-butyl N-[[5-(phenylcarbamoyl)-2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)phenyl]-piperidin-4-ylmethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(c1cc(C(=O)Nc2ccccc2)ccc1NC(=O)c1cnn2cccnc12)C1CCNCC1
InChIInChI=1S/C31H35N7O4/c1-31(2,3)42-30(41)37-26(20-12-15-32-16-13-20)23-18-21(28(39)35-22-8-5-4-6-9-22)10-11-25(23)36-29(40)24-19-34-38-17-7-14-33-27(24)38/h4-11,14,17-20,26,32H,12-13,15-16H2,1-3H3,(H,35,39)(H,36,40)(H,37,41)
InChIKeyZNXDOTLJIZMYJH-UHFFFAOYSA-N
MW569.67 g/mol
LogP4.80
Rot. Bonds7

About tert-butyl N-[[5-(phenylcarbamoyl)-2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)phenyl]-piperidin-4-ylmethyl]carbamate

tert-butyl N-[[5-(phenylcarbamoyl)-2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)phenyl]-piperidin-4-ylmethyl]carbamate (PubChem CID 66665116) has the molecular formula C31H35N7O4 and a molecular weight of 569.67 g/mol. Its IUPAC name is tert-butyl N-[[5-(phenylcarbamoyl)-2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)phenyl]-piperidin-4-ylmethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-(phenylcarbamoyl)-2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)phenyl]-piperidin-4-ylmethyl]carbamate
PubChem CID66665116
Molecular FormulaC31H35N7O4
Molecular Weight569.67 g/mol
Exact Mass569.28
IUPAC Nametert-butyl N-[[5-(phenylcarbamoyl)-2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)phenyl]-piperidin-4-ylmethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(c1cc(C(=O)Nc2ccccc2)ccc1NC(=O)c1cnn2cccnc12)C1CCNCC1
InChIInChI=1S/C31H35N7O4/c1-31(2,3)42-30(41)37-26(20-12-15-32-16-13-20)23-18-21(28(39)35-22-8-5-4-6-9-22)10-11-25(23)36-29(40)24-19-34-38-17-7-14-33-27(24)38/h4-11,14,17-20,26,32H,12-13,15-16H2,1-3H3,(H,35,39)(H,36,40)(H,37,41)
InChIKeyZNXDOTLJIZMYJH-UHFFFAOYSA-N
XLogP4.80
TPSA138.75 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.67
LogP ≤ 54.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[[5-(phenylcarbamoyl)-2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)phenyl]-piperidin-4-ylmethyl]carbamate with MolForge

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Related Compounds

N-[4-(phenylcarbamoyl)-2-piperidin-1-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 141316907
N-(4-acetylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1256529
N-(2-piperidin-4-yl-6-propan-2-yloxyindazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166536866
N-(3-acetylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4151653
N-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414443
N-[5-[2-(difluoromethoxy)-5-piperidin-4-ylsulfanylphenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135378798
dimethyl 5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)benzene-1,3-dicarboxylate
CID 5112652
N-(2-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58056308
N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 91425689
N-[4-[3-[tert-butyl(dimethyl)silyl]oxypropylcarbamoyl]-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66664775
N-phenyl-5-(piperidin-4-ylmethylamino)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 66677747
N-[4-(diethylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414447

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-(phenylcarbamoyl)-2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)phenyl]-piperidin-4-ylmethyl]carbamate?
The IUPAC name of tert-butyl N-[[5-(phenylcarbamoyl)-2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)phenyl]-piperidin-4-ylmethyl]carbamate (CID 66665116) is tert-butyl N-[[5-(phenylcarbamoyl)-2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)phenyl]-piperidin-4-ylmethyl]carbamate.
What is the SMILES notation for tert-butyl N-[[5-(phenylcarbamoyl)-2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)phenyl]-piperidin-4-ylmethyl]carbamate?
The canonical SMILES for tert-butyl N-[[5-(phenylcarbamoyl)-2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)phenyl]-piperidin-4-ylmethyl]carbamate is CC(C)(C)OC(=O)NC(c1cc(C(=O)Nc2ccccc2)ccc1NC(=O)c1cnn2cccnc12)C1CCNCC1.
What is the InChIKey of tert-butyl N-[[5-(phenylcarbamoyl)-2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)phenyl]-piperidin-4-ylmethyl]carbamate?
The InChIKey is ZNXDOTLJIZMYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N7O4/c1-31(2,3)42-30(41)37-26(20-12-15-32-16-13-20)23-18-21(28(39)35-22-8-5-4-6-9-22)10-11-25(23)36-29(40)24-19-34-38-17-7-14-33-27(24)38/h4-11,14,17-20,26,32H,12-13,15-16H2,1-3H3,(H,35,39)(H,36,40)(H,37,41).
What are the key properties of tert-butyl N-[[5-(phenylcarbamoyl)-2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)phenyl]-piperidin-4-ylmethyl]carbamate?
tert-butyl N-[[5-(phenylcarbamoyl)-2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)phenyl]-piperidin-4-ylmethyl]carbamate has a molecular weight of 569.67 g/mol, XLogP of 4.80, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-(phenylcarbamoyl)-2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)phenyl]-piperidin-4-ylmethyl]carbamate is sourced from PubChem (CID 66665116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).