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

C23H32N6O3 — CID 135907918

IUPAC1-methyl-5-[methyl-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCc1nn(C)c2c(=O)[nH]c(N(C)Cc3cccc(OCCN4CCOCC4)c3)nc12
InChIInChI=1S/C23H32N6O3/c1-4-6-19-20-21(28(3)26-19)22(30)25-23(24-20)27(2)16-17-7-5-8-18(15-17)32-14-11-29-9-12-31-13-10-29/h5,7-8,15H,4,6,9-14,16H2,1-3H3,(H,24,25,30)
InChIKeyBCLBVYQHFKWJTK-UHFFFAOYSA-N
MW440.55 g/mol
LogP1.96
Rot. Bonds9

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

1-methyl-5-[methyl-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 135907918) has the molecular formula C23H32N6O3 and a molecular weight of 440.55 g/mol. Its IUPAC name is 1-methyl-5-[methyl-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name1-methyl-5-[methyl-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID135907918
Molecular FormulaC23H32N6O3
Molecular Weight440.55 g/mol
Exact Mass440.25
IUPAC Name1-methyl-5-[methyl-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCc1nn(C)c2c(=O)[nH]c(N(C)Cc3cccc(OCCN4CCOCC4)c3)nc12
InChIInChI=1S/C23H32N6O3/c1-4-6-19-20-21(28(3)26-19)22(30)25-23(24-20)27(2)16-17-7-5-8-18(15-17)32-14-11-29-9-12-31-13-10-29/h5,7-8,15H,4,6,9-14,16H2,1-3H3,(H,24,25,30)
InChIKeyBCLBVYQHFKWJTK-UHFFFAOYSA-N
XLogP1.96
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 51.96
H-Bond Donors ≤ 51
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
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
3-isopropyl-1-methyl-5-(2-(2-morpholinoethoxy)benzyl)-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
CID 136059722

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[methyl-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 1-methyl-5-[methyl-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (CID 135907918) is 1-methyl-5-[methyl-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 1-methyl-5-[methyl-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 1-methyl-5-[methyl-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is CCCc1nn(C)c2c(=O)[nH]c(N(C)Cc3cccc(OCCN4CCOCC4)c3)nc12.
What is the InChIKey of 1-methyl-5-[methyl-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is BCLBVYQHFKWJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O3/c1-4-6-19-20-21(28(3)26-19)22(30)25-23(24-20)27(2)16-17-7-5-8-18(15-17)32-14-11-29-9-12-31-13-10-29/h5,7-8,15H,4,6,9-14,16H2,1-3H3,(H,24,25,30).
What are the key properties of 1-methyl-5-[methyl-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
1-methyl-5-[methyl-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 440.55 g/mol, XLogP of 1.96, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[methyl-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135907918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).