N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]adamantane-1-carboxamide

C26H33N9O — CID 42099705

IUPACN-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]adamantane-1-carboxamide
SMILESO=C(NCCn1ncc2c(N3CCN(c4ncccn4)CC3)ncnc21)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H33N9O/c36-24(26-13-18-10-19(14-26)12-20(11-18)15-26)27-4-5-35-23-21(16-32-35)22(30-17-31-23)33-6-8-34(9-7-33)25-28-2-1-3-29-25/h1-3,16-20H,4-15H2,(H,27,36)
InChIKeyFMPLHKRECXRFKK-UHFFFAOYSA-N
MW487.61 g/mol
LogP2.28
Rot. Bonds6

About N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]adamantane-1-carboxamide

N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]adamantane-1-carboxamide (PubChem CID 42099705) has the molecular formula C26H33N9O and a molecular weight of 487.61 g/mol. Its IUPAC name is N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]adamantane-1-carboxamide
PubChem CID42099705
Molecular FormulaC26H33N9O
Molecular Weight487.61 g/mol
Exact Mass487.28
IUPAC NameN-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]adamantane-1-carboxamide
SMILESO=C(NCCn1ncc2c(N3CCN(c4ncccn4)CC3)ncnc21)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H33N9O/c36-24(26-13-18-10-19(14-26)12-20(11-18)15-26)27-4-5-35-23-21(16-32-35)22(30-17-31-23)33-6-8-34(9-7-33)25-28-2-1-3-29-25/h1-3,16-20H,4-15H2,(H,27,36)
InChIKeyFMPLHKRECXRFKK-UHFFFAOYSA-N
XLogP2.28
TPSA104.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.61
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]adamantane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenoxy-N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide
CID 42099773
N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]naphthalene-2-carboxamide
CID 42099780
N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]adamantane-1-carboxamide
CID 16901812
N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]adamantane-1-carboxamide
CID 25285304
N-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide
CID 42099679
3-cyclohexyl-N-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide
CID 27545812
N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]thiophene-2-carboxamide
CID 42099787
N-[2-[5-[(2-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]adamantane-1-carboxamide
CID 42391816
N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide;dihydrochloride
CID 18995777
N-[2-[6-methylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]adamantane-1-carboxamide
CID 16900784
N-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]cyclopentanecarboxamide
CID 42099687
N-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]adamantane-1-carboxamide
CID 139835097

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]adamantane-1-carboxamide (CID 42099705) is N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]adamantane-1-carboxamide is O=C(NCCn1ncc2c(N3CCN(c4ncccn4)CC3)ncnc21)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]adamantane-1-carboxamide?
The InChIKey is FMPLHKRECXRFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N9O/c36-24(26-13-18-10-19(14-26)12-20(11-18)15-26)27-4-5-35-23-21(16-32-35)22(30-17-31-23)33-6-8-34(9-7-33)25-28-2-1-3-29-25/h1-3,16-20H,4-15H2,(H,27,36).
What are the key properties of N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]adamantane-1-carboxamide?
N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]adamantane-1-carboxamide has a molecular weight of 487.61 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 42099705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).