1-methyl-5-[[3-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

C22H30N6O3 — CID 135907906

IUPAC1-methyl-5-[[3-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCc1nn(C)c2c(=O)[nH]c(NCc3cccc(OCCN4CCOCC4)c3)nc12
InChIInChI=1S/C22H30N6O3/c1-3-5-18-19-20(27(2)26-18)21(29)25-22(24-19)23-15-16-6-4-7-17(14-16)31-13-10-28-8-11-30-12-9-28/h4,6-7,14H,3,5,8-13,15H2,1-2H3,(H2,23,24,25,29)
InChIKeySLILQVRVIOGNCR-UHFFFAOYSA-N
MW426.52 g/mol
LogP1.93
Rot. Bonds9

About 1-methyl-5-[[3-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

1-methyl-5-[[3-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 135907906) has the molecular formula C22H30N6O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is 1-methyl-5-[[3-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name1-methyl-5-[[3-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID135907906
Molecular FormulaC22H30N6O3
Molecular Weight426.52 g/mol
Exact Mass426.24
IUPAC Name1-methyl-5-[[3-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCc1nn(C)c2c(=O)[nH]c(NCc3cccc(OCCN4CCOCC4)c3)nc12
InChIInChI=1S/C22H30N6O3/c1-3-5-18-19-20(27(2)26-18)21(29)25-22(24-19)23-15-16-6-4-7-17(14-16)31-13-10-28-8-11-30-12-9-28/h4,6-7,14H,3,5,8-13,15H2,1-2H3,(H2,23,24,25,29)
InChIKeySLILQVRVIOGNCR-UHFFFAOYSA-N
XLogP1.93
TPSA97.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-(2-Ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]-7-pyrimidinone
CID 135401477
Acetildenafil
CID 135566112
Morpholinoacetildenafil
CID 135487662
5-(2-ethoxyphenyl)-1,3-dimethyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
CID 135433645
3-isopropyl-5-(2-(2-morpholinoethoxy)benzyl)-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
CID 135457869
N-[(3-methoxyphenyl)methyl]-1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidine-6-carboxamide
CID 135982356
2-[1-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]piperidin-4-yl]-N-hydroxyacetamide
CID 136645392
4-[[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenoxy]methyl]-N-hydroxybenzamide
CID 136645410
1-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-N-hydroxypiperidine-4-carboxamide
CID 136645436
3-[1-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]piperidin-4-yl]-N-hydroxypropanamide
CID 136985291
5-(4-methoxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135832625
5-(2-(cyclopropylmethoxy)phenyl)-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
CID 136056128

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[3-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 1-methyl-5-[[3-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (CID 135907906) is 1-methyl-5-[[3-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 1-methyl-5-[[3-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 1-methyl-5-[[3-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is CCCc1nn(C)c2c(=O)[nH]c(NCc3cccc(OCCN4CCOCC4)c3)nc12.
What is the InChIKey of 1-methyl-5-[[3-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is SLILQVRVIOGNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O3/c1-3-5-18-19-20(27(2)26-18)21(29)25-22(24-19)23-15-16-6-4-7-17(14-16)31-13-10-28-8-11-30-12-9-28/h4,6-7,14H,3,5,8-13,15H2,1-2H3,(H2,23,24,25,29).
What are the key properties of 1-methyl-5-[[3-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
1-methyl-5-[[3-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 426.52 g/mol, XLogP of 1.93, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[[3-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135907906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).