N-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

C21H18N8 — CID 56894425

IUPACN-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCc3ccccc3-n3ccnc3)nc(-c3ccncc3)nc21
InChIInChI=1S/C21H18N8/c1-28-21-17(13-25-28)20(26-19(27-21)15-6-8-22-9-7-15)24-12-16-4-2-3-5-18(16)29-11-10-23-14-29/h2-11,13-14H,12H2,1H3,(H,24,26,27)
InChIKeySHFCDGJLIKYGKP-UHFFFAOYSA-N
MW382.43 g/mol
LogP3.22
Rot. Bonds5

About N-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

N-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 56894425) has the molecular formula C21H18N8 and a molecular weight of 382.43 g/mol. Its IUPAC name is N-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID56894425
Molecular FormulaC21H18N8
Molecular Weight382.43 g/mol
Exact Mass382.17
IUPAC NameN-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCc3ccccc3-n3ccnc3)nc(-c3ccncc3)nc21
InChIInChI=1S/C21H18N8/c1-28-21-17(13-25-28)20(26-19(27-21)15-6-8-22-9-7-15)24-12-16-4-2-3-5-18(16)29-11-10-23-14-29/h2-11,13-14H,12H2,1H3,(H,24,26,27)
InChIKeySHFCDGJLIKYGKP-UHFFFAOYSA-N
XLogP3.22
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70722090
1-methyl-N-[(4-methylphenyl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56892081
1-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56882874
N'-(1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)-N-pyridin-3-ylethane-1,2-diamine
CID 56891402
4-[[(1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]benzenesulfonic acid
CID 175315839
1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56890252
1-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70728202
1-methyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70760680
1-methyl-6-pyridin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 70726617
N-[(2-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine
CID 63071920
N-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56760183
1,6-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 166185839

Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 56894425) is N-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(NCc3ccccc3-n3ccnc3)nc(-c3ccncc3)nc21.
What is the InChIKey of N-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is SHFCDGJLIKYGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N8/c1-28-21-17(13-25-28)20(26-19(27-21)15-6-8-22-9-7-15)24-12-16-4-2-3-5-18(16)29-11-10-23-14-29/h2-11,13-14H,12H2,1H3,(H,24,26,27).
What are the key properties of N-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 382.43 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56894425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).