N-methyl-N-[4-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]acetamide

C24H24N6O2 — CID 44606818

IUPACN-methyl-N-[4-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]acetamide
SMILESCC(=O)N(C)c1ccc(-c2nc(N3CCOCC3)c3cnn(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C24H24N6O2/c1-17(31)28(2)19-10-8-18(9-11-19)22-26-23(29-12-14-32-15-13-29)21-16-25-30(24(21)27-22)20-6-4-3-5-7-20/h3-11,16H,12-15H2,1-2H3
InChIKeyFGNWNPNHRQNBPI-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.30
Rot. Bonds4

About N-methyl-N-[4-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]acetamide

N-methyl-N-[4-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]acetamide (PubChem CID 44606818) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is N-methyl-N-[4-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[4-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]acetamide
PubChem CID44606818
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC NameN-methyl-N-[4-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]acetamide
SMILESCC(=O)N(C)c1ccc(-c2nc(N3CCOCC3)c3cnn(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C24H24N6O2/c1-17(31)28(2)19-10-8-18(9-11-19)22-26-23(29-12-14-32-15-13-29)21-16-25-30(24(21)27-22)20-6-4-3-5-7-20/h3-11,16H,12-15H2,1-2H3
InChIKeyFGNWNPNHRQNBPI-UHFFFAOYSA-N
XLogP3.30
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Apy0201
CID 56927660
Bay-41-8543
CID 9953906
1-Methyl-3-{4-[4-morpholin-4-yl-1-(1-pyridin-3-ylmethyl-piperidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-phenyl}-urea
CID 25260915
Pyrazolo pyrimidine, 18
CID 25261231
Pyrazolo pyrimidine, 13
CID 44233160
Pyrazolo pyrimidine, 20
CID 44233388
Pyrazolo pyrimidine, 21
CID 44233389
Pyrazolo pyrimidine, 22
CID 44233390
Methyl 4-[6-[4-(cyclopropylcarbamoylamino)phenyl]-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
CID 44233391
Pyrazolo pyrimidine, 24
CID 44233639
Pyrazolo pyrimidine, 25
CID 44233640
Pyrazolo pyrimidine, 27
CID 44233641

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]acetamide?
The IUPAC name of N-methyl-N-[4-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]acetamide (CID 44606818) is N-methyl-N-[4-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]acetamide.
What is the SMILES notation for N-methyl-N-[4-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]acetamide?
The canonical SMILES for N-methyl-N-[4-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]acetamide is CC(=O)N(C)c1ccc(-c2nc(N3CCOCC3)c3cnn(-c4ccccc4)c3n2)cc1.
What is the InChIKey of N-methyl-N-[4-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]acetamide?
The InChIKey is FGNWNPNHRQNBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-17(31)28(2)19-10-8-18(9-11-19)22-26-23(29-12-14-32-15-13-29)21-16-25-30(24(21)27-22)20-6-4-3-5-7-20/h3-11,16H,12-15H2,1-2H3.
What are the key properties of N-methyl-N-[4-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]acetamide?
N-methyl-N-[4-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]acetamide has a molecular weight of 428.50 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]acetamide is sourced from PubChem (CID 44606818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).