4-N-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]bicyclo[2.1.1]hexane-1,4-diamine

C24H26N8 — CID 121357770

IUPAC4-N-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]bicyclo[2.1.1]hexane-1,4-diamine
SMILESCn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC45CCC(N)(C4)C5)n3)c2)cn1
InChIInChI=1S/C24H26N8/c1-31-12-18(9-27-31)16-4-3-5-17(8-16)21-26-11-20(19-10-28-32(2)13-19)22(29-21)30-24-7-6-23(25,14-24)15-24/h3-5,8-13H,6-7,14-15,25H2,1-2H3,(H,26,29,30)
InChIKeyURLNTVKUVIIYOT-UHFFFAOYSA-N
MW426.53 g/mol
LogP3.38
Rot. Bonds5

About 4-N-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]bicyclo[2.1.1]hexane-1,4-diamine

4-N-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]bicyclo[2.1.1]hexane-1,4-diamine (PubChem CID 121357770) has the molecular formula C24H26N8 and a molecular weight of 426.53 g/mol. Its IUPAC name is 4-N-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]bicyclo[2.1.1]hexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]bicyclo[2.1.1]hexane-1,4-diamine
PubChem CID121357770
Molecular FormulaC24H26N8
Molecular Weight426.53 g/mol
Exact Mass426.23
IUPAC Name4-N-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]bicyclo[2.1.1]hexane-1,4-diamine
SMILESCn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC45CCC(N)(C4)C5)n3)c2)cn1
InChIInChI=1S/C24H26N8/c1-31-12-18(9-27-31)16-4-3-5-17(8-16)21-26-11-20(19-10-28-32(2)13-19)22(29-21)30-24-7-6-23(25,14-24)15-24/h3-5,8-13H,6-7,14-15,25H2,1-2H3,(H,26,29,30)
InChIKeyURLNTVKUVIIYOT-UHFFFAOYSA-N
XLogP3.38
TPSA99.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.53
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-N-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]bicyclo[2.1.1]hexane-1,4-diamine 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

3-(1-cyclobutylpyrazol-4-yl)-N-[(1R)-1-(2,5-difluorophenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 168283589
3-(1-cyclopentylpyrazol-4-yl)-N-[(1R)-1-(2,5-difluorophenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 168289659
2-methyl-6-(3-methylphenyl)-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine
CID 70977627
2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-phenylpyrimidin-4-amine
CID 70977905
(3S)-5,5-difluoro-1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-3-amine
CID 121347753
N-[(3,3-difluorocyclobutyl)methyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine
CID 121357744
N-[(3-fluorooxetan-3-yl)methyl]-N-methyl-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine
CID 121357751
N-(3,3-difluorocyclobutyl)-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine
CID 121357755
N-(3-fluorocyclobutyl)-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine
CID 121357758
N-[(3,3-difluorocyclobutyl)methyl]-5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine
CID 121357783
N-(3-fluorocyclobutyl)-5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine
CID 121357784
N-[(3S,5S)-5-fluoropiperidin-3-yl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine
CID 121357831

Frequently Asked Questions

What is the IUPAC name of 4-N-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]bicyclo[2.1.1]hexane-1,4-diamine?
The IUPAC name of 4-N-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]bicyclo[2.1.1]hexane-1,4-diamine (CID 121357770) is 4-N-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]bicyclo[2.1.1]hexane-1,4-diamine.
What is the SMILES notation for 4-N-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]bicyclo[2.1.1]hexane-1,4-diamine?
The canonical SMILES for 4-N-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]bicyclo[2.1.1]hexane-1,4-diamine is Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC45CCC(N)(C4)C5)n3)c2)cn1.
What is the InChIKey of 4-N-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]bicyclo[2.1.1]hexane-1,4-diamine?
The InChIKey is URLNTVKUVIIYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8/c1-31-12-18(9-27-31)16-4-3-5-17(8-16)21-26-11-20(19-10-28-32(2)13-19)22(29-21)30-24-7-6-23(25,14-24)15-24/h3-5,8-13H,6-7,14-15,25H2,1-2H3,(H,26,29,30).
What are the key properties of 4-N-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]bicyclo[2.1.1]hexane-1,4-diamine?
4-N-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]bicyclo[2.1.1]hexane-1,4-diamine has a molecular weight of 426.53 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]bicyclo[2.1.1]hexane-1,4-diamine is sourced from PubChem (CID 121357770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).