5-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one

C21H27N5O3 — CID 135457869

IUPAC5-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
SMILESCC(C)c1[nH]nc2c(=O)[nH]c(Cc3ccccc3OCCN3CCOCC3)nc12
InChIInChI=1S/C21H27N5O3/c1-14(2)18-19-20(25-24-18)21(27)23-17(22-19)13-15-5-3-4-6-16(15)29-12-9-26-7-10-28-11-8-26/h3-6,14H,7-13H2,1-2H3,(H,24,25)(H,22,23,27)
InChIKeyDQQIKKSUASWOMX-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.07
Rot. Bonds7

About 5-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one

5-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 135457869) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 5-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
PubChem CID135457869
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name5-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
SMILESCC(C)c1[nH]nc2c(=O)[nH]c(Cc3ccccc3OCCN3CCOCC3)nc12
InChIInChI=1S/C21H27N5O3/c1-14(2)18-19-20(25-24-18)21(27)23-17(22-19)13-15-5-3-4-6-16(15)29-12-9-26-7-10-28-11-8-26/h3-6,14H,7-13H2,1-2H3,(H,24,25)(H,22,23,27)
InChIKeyDQQIKKSUASWOMX-UHFFFAOYSA-N
XLogP2.07
TPSA96.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-(trifluoromethoxy)benzyl)-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
CID 135484473
5-(2-(benzyloxy)benzyl)-3-isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
CID 135721222
5-(2-Ethoxyphenyl)-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135740146
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
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-(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 5-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 5-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one (CID 135457869) is 5-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 5-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 5-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one is CC(C)c1[nH]nc2c(=O)[nH]c(Cc3ccccc3OCCN3CCOCC3)nc12.
What is the InChIKey of 5-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is DQQIKKSUASWOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-14(2)18-19-20(25-24-18)21(27)23-17(22-19)13-15-5-3-4-6-16(15)29-12-9-26-7-10-28-11-8-26/h3-6,14H,7-13H2,1-2H3,(H,24,25)(H,22,23,27).
What are the key properties of 5-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
5-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 397.48 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 135457869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).