N-(1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-yl)cyclohexanecarboxamide

C22H27N5O — CID 22138414

IUPACN-(1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-yl)cyclohexanecarboxamide
SMILESCC(C)(C)n1nc(-c2ccccc2)c2c(NC(=O)C3CCCCC3)ncnc21
InChIInChI=1S/C22H27N5O/c1-22(2,3)27-20-17(18(26-27)15-10-6-4-7-11-15)19(23-14-24-20)25-21(28)16-12-8-5-9-13-16/h4,6-7,10-11,14,16H,5,8-9,12-13H2,1-3H3,(H,23,24,25,28)
InChIKeyMIKFQJFBWNHAPI-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.77
Rot. Bonds3

About N-(1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-yl)cyclohexanecarboxamide

N-(1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-yl)cyclohexanecarboxamide (PubChem CID 22138414) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is N-(1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-yl)cyclohexanecarboxamide
PubChem CID22138414
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC NameN-(1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-yl)cyclohexanecarboxamide
SMILESCC(C)(C)n1nc(-c2ccccc2)c2c(NC(=O)C3CCCCC3)ncnc21
InChIInChI=1S/C22H27N5O/c1-22(2,3)27-20-17(18(26-27)15-10-6-4-7-11-15)19(23-14-24-20)25-21(28)16-12-8-5-9-13-16/h4,6-7,10-11,14,16H,5,8-9,12-13H2,1-3H3,(H,23,24,25,28)
InChIKeyMIKFQJFBWNHAPI-UHFFFAOYSA-N
XLogP4.77
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1-methylpyrrolidine-3-carboxamide
CID 59633601
1-tert-butyl-N-methyl-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 162651954
N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)cyclohexanecarboxamide
CID 18282898
N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 2427902
N-(2,4-diphenyl-1,3-oxazol-5-yl)cyclohexanecarboxamide
CID 25010438
2-(cycloheptanecarbonylamino)benzoic acid
CID 55091870
tert-butyl N-[1-[(3R)-1-benzylpiperidin-3-yl]-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]carbamate
CID 171042836
N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694
N-(2-tert-butylphenyl)cyclopentanecarboxamide
CID 7688669
N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)cyclohexanecarboxamide
CID 40656282
ethyl 2-(cyclohexanecarbonylamino)-4-phenyl-1,3-thiazole-5-carboxylate
CID 3417747
N-(1-tert-butyl-3-phenylindazol-4-yl)furan-2-carboxamide
CID 54328802

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-yl)cyclohexanecarboxamide?
The IUPAC name of N-(1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-yl)cyclohexanecarboxamide (CID 22138414) is N-(1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-yl)cyclohexanecarboxamide is CC(C)(C)n1nc(-c2ccccc2)c2c(NC(=O)C3CCCCC3)ncnc21.
What is the InChIKey of N-(1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-yl)cyclohexanecarboxamide?
The InChIKey is MIKFQJFBWNHAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-22(2,3)27-20-17(18(26-27)15-10-6-4-7-11-15)19(23-14-24-20)25-21(28)16-12-8-5-9-13-16/h4,6-7,10-11,14,16H,5,8-9,12-13H2,1-3H3,(H,23,24,25,28).
What are the key properties of N-(1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-yl)cyclohexanecarboxamide?
N-(1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-yl)cyclohexanecarboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-yl)cyclohexanecarboxamide is sourced from PubChem (CID 22138414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).