4-[1-[(2-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine

C22H23N7O — CID 46932615

IUPAC4-[1-[(2-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCOc1ccccc1CN1CCN(c2nc(N)nc3[nH]ncc23)Cc2ccccc21
InChIInChI=1S/C22H23N7O/c1-30-19-9-5-3-7-16(19)14-28-10-11-29(13-15-6-2-4-8-18(15)28)21-17-12-24-27-20(17)25-22(23)26-21/h2-9,12H,10-11,13-14H2,1H3,(H3,23,24,25,26,27)
InChIKeyKWEJJHHJCSQFSA-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.97
Rot. Bonds4

About 4-[1-[(2-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine

4-[1-[(2-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 46932615) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is 4-[1-[(2-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-[1-[(2-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID46932615
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC Name4-[1-[(2-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCOc1ccccc1CN1CCN(c2nc(N)nc3[nH]ncc23)Cc2ccccc21
InChIInChI=1S/C22H23N7O/c1-30-19-9-5-3-7-16(19)14-28-10-11-29(13-15-6-2-4-8-18(15)28)21-17-12-24-27-20(17)25-22(23)26-21/h2-9,12H,10-11,13-14H2,1H3,(H3,23,24,25,26,27)
InChIKeyKWEJJHHJCSQFSA-UHFFFAOYSA-N
XLogP2.97
TPSA96.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[1-[(2-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine with MolForge

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Related Compounds

4-N-[1-[[2-(4-methoxyphenoxy)phenyl]methyl]-3,4-dihydro-2H-quinolin-3-yl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 59400238
4-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 51491376
4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 67163166
N-[3-[(2-methoxyphenyl)methyl]-4H-quinazolin-2-yl]hydroxylamine
CID 86098714
3-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-4H-quinazoline
CID 68554630
1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-5-methoxy-3-methylpiperidin-3-ol
CID 178104706
[1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 56739220
5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-indazole
CID 166277175
4-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-6-amine
CID 178106768
5-[4-(2-methoxyphenyl)piperazin-1-yl]-2H-1,2,4-triazine-3-thione
CID 23412211
1-[(5-fluoro-2-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 63101496
2-[4-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]phenol
CID 46630872

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of 4-[1-[(2-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine (CID 46932615) is 4-[1-[(2-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for 4-[1-[(2-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for 4-[1-[(2-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine is COc1ccccc1CN1CCN(c2nc(N)nc3[nH]ncc23)Cc2ccccc21.
What is the InChIKey of 4-[1-[(2-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is KWEJJHHJCSQFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-30-19-9-5-3-7-16(19)14-28-10-11-29(13-15-6-2-4-8-18(15)28)21-17-12-24-27-20(17)25-22(23)26-21/h2-9,12H,10-11,13-14H2,1H3,(H3,23,24,25,26,27).
What are the key properties of 4-[1-[(2-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
4-[1-[(2-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 401.47 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 46932615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).