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

C23H22N6O2 — CID 44607003

IUPACN-[4-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3cnn(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C23H22N6O2/c1-16(30)25-18-9-7-17(8-10-18)21-26-22(28-11-13-31-14-12-28)20-15-24-29(23(20)27-21)19-5-3-2-4-6-19/h2-10,15H,11-14H2,1H3,(H,25,30)
InChIKeyHUJUHVQBUOSNSE-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.28
Rot. Bonds4

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

N-[4-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]acetamide (PubChem CID 44607003) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-[4-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]acetamide
PubChem CID44607003
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC NameN-[4-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3cnn(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C23H22N6O2/c1-16(30)25-18-9-7-17(8-10-18)21-26-22(28-11-13-31-14-12-28)20-15-24-29(23(20)27-21)19-5-3-2-4-6-19/h2-10,15H,11-14H2,1H3,(H,25,30)
InChIKeyHUJUHVQBUOSNSE-UHFFFAOYSA-N
XLogP3.28
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Apy0201
CID 56927660
Bay-41-8543
CID 9953906
1-(4-(1-(1,4-Dioxaspiro(4.5)decan-8-yl)-4-(8-oxa-3-azabicyclo(3.2.1)octan-3-yl)pyrazolo(3,4-d)pyrimidin-6-yl)phenyl)-3-methylurea
CID 25260757
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
1-(4-{4-Morpholin-4-yl-1-[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]-1h-pyrazolo[3,4-d]pyrimidin-6-yl}phenyl)-3-pyridin-4-ylurea
CID 44182308
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]acetamide?
The IUPAC name of N-[4-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]acetamide (CID 44607003) is N-[4-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]acetamide is CC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3cnn(-c4ccccc4)c3n2)cc1.
What is the InChIKey of N-[4-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]acetamide?
The InChIKey is HUJUHVQBUOSNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-16(30)25-18-9-7-17(8-10-18)21-26-22(28-11-13-31-14-12-28)20-15-24-29(23(20)27-21)19-5-3-2-4-6-19/h2-10,15H,11-14H2,1H3,(H,25,30).
What are the key properties of N-[4-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]acetamide?
N-[4-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]acetamide has a molecular weight of 414.47 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]acetamide is sourced from PubChem (CID 44607003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).