N-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide

C22H30N6O — CID 71231455

IUPACN-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESO=C(Nc1ncnc2c1cnn2CCN1CCCCC1)C12CC3CC(CC1C3)C2
InChIInChI=1S/C22H30N6O/c29-21(22-11-15-8-16(12-22)10-17(22)9-15)26-19-18-13-25-28(20(18)24-14-23-19)7-6-27-4-2-1-3-5-27/h13-17H,1-12H2,(H,23,24,26,29)
InChIKeyQDDQNPHRHBGEIF-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.08
Rot. Bonds5

About N-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide

N-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide (PubChem CID 71231455) has the molecular formula C22H30N6O and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide
PubChem CID71231455
Molecular FormulaC22H30N6O
Molecular Weight394.52 g/mol
Exact Mass394.25
IUPAC NameN-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESO=C(Nc1ncnc2c1cnn2CCN1CCCCC1)C12CC3CC(CC1C3)C2
InChIInChI=1S/C22H30N6O/c29-21(22-11-15-8-16(12-22)10-17(22)9-15)26-19-18-13-25-28(20(18)24-14-23-19)7-6-27-4-2-1-3-5-27/h13-17H,1-12H2,(H,23,24,26,29)
InChIKeyQDDQNPHRHBGEIF-UHFFFAOYSA-N
XLogP3.08
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-(2-(Azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)cyclohexanecarboxamide maleate
CID 71222985
N-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)cyclohexanecarboxamide maleate
CID 71222995
N-(1-(2-(azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)cyclopentanecarboxamide maleate
CID 71223000
N-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)cyclopentanecarboxamide maleate
CID 71223185
N-(1-[2-(Piperidin-1-yl)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1-adamantylcarboxamide maleate
CID 71223247
N-(1-(2-(Azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl) 1-adamantylcarboxamide hydrochloride
CID 71223267
N-(1-(2-(4-tert-butylpiperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pivalamide
CID 71225947
N-(1-(4-(4-tert-butylpiperidin-1-yl)butyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pivalamide maleate
CID 71225970
N-[1-[2-(azepan-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide
CID 78043801
N-[1-[4-[di(propan-2-yl)amino]butyl]pyrazolo[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide
CID 145979453
N-[1-[4-(4-propan-2-ylpiperazin-1-yl)butyl]pyrazolo[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide
CID 145986903
N-[1-(4-morpholin-4-ylbutyl)pyrazolo[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide
CID 145990153

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The IUPAC name of N-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide (CID 71231455) is N-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide.
What is the SMILES notation for N-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The canonical SMILES for N-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide is O=C(Nc1ncnc2c1cnn2CCN1CCCCC1)C12CC3CC(CC1C3)C2.
What is the InChIKey of N-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The InChIKey is QDDQNPHRHBGEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O/c29-21(22-11-15-8-16(12-22)10-17(22)9-15)26-19-18-13-25-28(20(18)24-14-23-19)7-6-27-4-2-1-3-5-27/h13-17H,1-12H2,(H,23,24,26,29).
What are the key properties of N-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide?
N-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide is sourced from PubChem (CID 71231455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).