1-[[6-(3-methylmorpholin-4-yl)-2-pyridinyl]methyl]-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine

C20H23N9O — CID 66765512

IUPAC1-[[6-(3-methylmorpholin-4-yl)-2-pyridinyl]methyl]-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCC1COCCN1c1cccc(Cn2ncc3cnc(Nc4cnn(C)c4)nc32)n1
InChIInChI=1S/C20H23N9O/c1-14-13-30-7-6-28(14)18-5-3-4-16(24-18)12-29-19-15(9-23-29)8-21-20(26-19)25-17-10-22-27(2)11-17/h3-5,8-11,14H,6-7,12-13H2,1-2H3,(H,21,25,26)
InChIKeyGFQVJTJYTXUIJL-UHFFFAOYSA-N
MW405.47 g/mol
LogP1.97
Rot. Bonds5

About 1-[[6-(3-methylmorpholin-4-yl)-2-pyridinyl]methyl]-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine

1-[[6-(3-methylmorpholin-4-yl)-2-pyridinyl]methyl]-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 66765512) has the molecular formula C20H23N9O and a molecular weight of 405.47 g/mol. Its IUPAC name is 1-[[6-(3-methylmorpholin-4-yl)-2-pyridinyl]methyl]-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name1-[[6-(3-methylmorpholin-4-yl)-2-pyridinyl]methyl]-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID66765512
Molecular FormulaC20H23N9O
Molecular Weight405.47 g/mol
Exact Mass405.20
IUPAC Name1-[[6-(3-methylmorpholin-4-yl)-2-pyridinyl]methyl]-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCC1COCCN1c1cccc(Cn2ncc3cnc(Nc4cnn(C)c4)nc32)n1
InChIInChI=1S/C20H23N9O/c1-14-13-30-7-6-28(14)18-5-3-4-16(24-18)12-29-19-15(9-23-29)8-21-20(26-19)25-17-10-22-27(2)11-17/h3-5,8-11,14H,6-7,12-13H2,1-2H3,(H,21,25,26)
InChIKeyGFQVJTJYTXUIJL-UHFFFAOYSA-N
XLogP1.97
TPSA98.81 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 52913738
1-[(3-iodophenyl)methyl]-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 66765269
1-[(2,3-dichlorophenyl)methyl]-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 67113576
4-[6-(chloromethyl)-2-pyridinyl]-3-methylmorpholine
CID 62255022
N-(1-methylpyrazol-4-yl)-1-[(3-piperidin-1-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 56932982
1-[[2-(cyclopropylmethoxy)phenyl]methyl]-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 52913622
N-[[6-(3-methylmorpholin-4-yl)-2-pyridinyl]methyl]propan-2-amine
CID 62280987
1-[(1-ethylsulfonylpyrrolidin-3-yl)methyl]-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 54578663
4-[2-fluoro-3-[[6-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]morpholin-3-one
CID 56932469
N-[4-(3-methylmorpholin-4-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine
CID 166296585
N-cyclopropyl-3-[4-[[1-[(3-morpholin-4-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]pyrazol-1-yl]propanamide
CID 56932417
2-[4-[[1-[(2-fluoro-5-morpholin-4-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]pyrazol-1-yl]ethanol
CID 56932467

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(3-methylmorpholin-4-yl)-2-pyridinyl]methyl]-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 1-[[6-(3-methylmorpholin-4-yl)-2-pyridinyl]methyl]-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine (CID 66765512) is 1-[[6-(3-methylmorpholin-4-yl)-2-pyridinyl]methyl]-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 1-[[6-(3-methylmorpholin-4-yl)-2-pyridinyl]methyl]-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 1-[[6-(3-methylmorpholin-4-yl)-2-pyridinyl]methyl]-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine is CC1COCCN1c1cccc(Cn2ncc3cnc(Nc4cnn(C)c4)nc32)n1.
What is the InChIKey of 1-[[6-(3-methylmorpholin-4-yl)-2-pyridinyl]methyl]-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is GFQVJTJYTXUIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N9O/c1-14-13-30-7-6-28(14)18-5-3-4-16(24-18)12-29-19-15(9-23-29)8-21-20(26-19)25-17-10-22-27(2)11-17/h3-5,8-11,14H,6-7,12-13H2,1-2H3,(H,21,25,26).
What are the key properties of 1-[[6-(3-methylmorpholin-4-yl)-2-pyridinyl]methyl]-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
1-[[6-(3-methylmorpholin-4-yl)-2-pyridinyl]methyl]-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 405.47 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(3-methylmorpholin-4-yl)-2-pyridinyl]methyl]-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 66765512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).