5-[(4-methoxyphenyl)methyl-(3-morpholin-4-ylpropyl)amino]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

C24H34N6O3 — CID 135879621

IUPAC5-[(4-methoxyphenyl)methyl-(3-morpholin-4-ylpropyl)amino]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCc1nn(C)c2c(=O)[nH]c(N(CCCN3CCOCC3)Cc3ccc(OC)cc3)nc12
InChIInChI=1S/C24H34N6O3/c1-4-6-20-21-22(28(2)27-20)23(31)26-24(25-21)30(12-5-11-29-13-15-33-16-14-29)17-18-7-9-19(32-3)10-8-18/h7-10H,4-6,11-17H2,1-3H3,(H,25,26,31)
InChIKeySYFNBFJEROZKKB-UHFFFAOYSA-N
MW454.58 g/mol
LogP2.35
Rot. Bonds10

About 5-[(4-methoxyphenyl)methyl-(3-morpholin-4-ylpropyl)amino]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

5-[(4-methoxyphenyl)methyl-(3-morpholin-4-ylpropyl)amino]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 135879621) has the molecular formula C24H34N6O3 and a molecular weight of 454.58 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methyl-(3-morpholin-4-ylpropyl)amino]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methyl-(3-morpholin-4-ylpropyl)amino]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID135879621
Molecular FormulaC24H34N6O3
Molecular Weight454.58 g/mol
Exact Mass454.27
IUPAC Name5-[(4-methoxyphenyl)methyl-(3-morpholin-4-ylpropyl)amino]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCc1nn(C)c2c(=O)[nH]c(N(CCCN3CCOCC3)Cc3ccc(OC)cc3)nc12
InChIInChI=1S/C24H34N6O3/c1-4-6-20-21-22(28(2)27-20)23(31)26-24(25-21)30(12-5-11-29-13-15-33-16-14-29)17-18-7-9-19(32-3)10-8-18/h7-10H,4-6,11-17H2,1-3H3,(H,25,26,31)
InChIKeySYFNBFJEROZKKB-UHFFFAOYSA-N
XLogP2.35
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[cyclohexylmethyl(3-morpholin-4-ylpropyl)amino]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135879524
N-(furan-2-ylmethyl)-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-N-(2-morpholin-4-ylethyl)-4-propoxybenzenesulfonamide
CID 135771974
1-methyl-5-[methyl-(1-methylindol-6-yl)amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135907879
ethyl 2-[[(4-methoxyphenyl)methyl-(3-morpholin-4-ylpropyl)carbamoyl]amino]acetate
CID 42701674
N-[(4-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 17338576
2-morpholin-4-ylethyl 3-[4-[3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-4-propoxyphenyl]sulfonylpiperazin-1-yl]propanoate;dihydrochloride
CID 142642403
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
4-[(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)methyl]benzenesulfonyl chloride
CID 135815255
N,N-bis[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine
CID 167465334
N-hexyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 47798791
5-[(3-aminophenyl)methyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135815267
2-(3-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one;hydrochloride
CID 135599869

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methyl-(3-morpholin-4-ylpropyl)amino]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 5-[(4-methoxyphenyl)methyl-(3-morpholin-4-ylpropyl)amino]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (CID 135879621) is 5-[(4-methoxyphenyl)methyl-(3-morpholin-4-ylpropyl)amino]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 5-[(4-methoxyphenyl)methyl-(3-morpholin-4-ylpropyl)amino]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 5-[(4-methoxyphenyl)methyl-(3-morpholin-4-ylpropyl)amino]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is CCCc1nn(C)c2c(=O)[nH]c(N(CCCN3CCOCC3)Cc3ccc(OC)cc3)nc12.
What is the InChIKey of 5-[(4-methoxyphenyl)methyl-(3-morpholin-4-ylpropyl)amino]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is SYFNBFJEROZKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O3/c1-4-6-20-21-22(28(2)27-20)23(31)26-24(25-21)30(12-5-11-29-13-15-33-16-14-29)17-18-7-9-19(32-3)10-8-18/h7-10H,4-6,11-17H2,1-3H3,(H,25,26,31).
What are the key properties of 5-[(4-methoxyphenyl)methyl-(3-morpholin-4-ylpropyl)amino]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
5-[(4-methoxyphenyl)methyl-(3-morpholin-4-ylpropyl)amino]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 454.58 g/mol, XLogP of 2.35, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methyl-(3-morpholin-4-ylpropyl)amino]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135879621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).