2-(4-methoxyphenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine

C23H24N6O2 — CID 93128101

IUPAC2-(4-methoxyphenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
SMILESCOc1ccc(-n2nc3nc(NC[C@H]4CCCO4)nc(-c4ccccc4)c3c2N)cc1
InChIInChI=1S/C23H24N6O2/c1-30-17-11-9-16(10-12-17)29-21(24)19-20(15-6-3-2-4-7-15)26-23(27-22(19)28-29)25-14-18-8-5-13-31-18/h2-4,6-7,9-12,18H,5,8,13-14,24H2,1H3,(H,25,27,28)/t18-/m1/s1
InChIKeyTXUGPQNDNWIDDO-GOSISDBHSA-N
MW416.49 g/mol
LogP3.66
Rot. Bonds6

About 2-(4-methoxyphenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine

2-(4-methoxyphenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine (PubChem CID 93128101) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
PubChem CID93128101
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name2-(4-methoxyphenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
SMILESCOc1ccc(-n2nc3nc(NC[C@H]4CCCO4)nc(-c4ccccc4)c3c2N)cc1
InChIInChI=1S/C23H24N6O2/c1-30-17-11-9-16(10-12-17)29-21(24)19-20(15-6-3-2-4-7-15)26-23(27-22(19)28-29)25-14-18-8-5-13-31-18/h2-4,6-7,9-12,18H,5,8,13-14,24H2,1H3,(H,25,27,28)/t18-/m1/s1
InChIKeyTXUGPQNDNWIDDO-GOSISDBHSA-N
XLogP3.66
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-(3-methoxyphenyl)-2-(4-methoxyphenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 93297649
2,4-bis(4-fluorophenyl)-6-N-[[(2S)-oxolan-2-yl]methyl]pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 93128140
2-(4-chlorophenyl)-4-(2-fluorophenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 93297587
4-(4-chlorophenyl)-2-(3-fluorophenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 93297361
4-(4-chlorophenyl)-2-methyl-6-N-[[(2R)-oxolan-2-yl]methyl]pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 93297471
2-(2,5-difluorophenyl)-4-(3-fluorophenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 93298726
6-N-(cyclopropylmethyl)-4-(2-methoxyphenyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668202
4-(3-methoxyphenyl)-2-(4-methoxyphenyl)-6-N-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668968
6-N-benzyl-2-(4-methoxyphenyl)-6-N-methyl-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42667675
4-N-(4-methoxyphenyl)-6-N-[[(2S)-oxolan-2-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 27443533
2-tert-butyl-6-N-(cyclopropylmethyl)-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42667648
2-(4-chlorophenyl)-4-(4-methoxyphenyl)-6-N-(2-pyridin-2-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42807784

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine?
The IUPAC name of 2-(4-methoxyphenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine (CID 93128101) is 2-(4-methoxyphenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine.
What is the SMILES notation for 2-(4-methoxyphenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine?
The canonical SMILES for 2-(4-methoxyphenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine is COc1ccc(-n2nc3nc(NC[C@H]4CCCO4)nc(-c4ccccc4)c3c2N)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine?
The InChIKey is TXUGPQNDNWIDDO-GOSISDBHSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-30-17-11-9-16(10-12-17)29-21(24)19-20(15-6-3-2-4-7-15)26-23(27-22(19)28-29)25-14-18-8-5-13-31-18/h2-4,6-7,9-12,18H,5,8,13-14,24H2,1H3,(H,25,27,28)/t18-/m1/s1.
What are the key properties of 2-(4-methoxyphenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine?
2-(4-methoxyphenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine has a molecular weight of 416.49 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine is sourced from PubChem (CID 93128101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).