1-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]-3-ethylurea

C19H24N6O3 — CID 135493551

IUPAC1-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]-3-ethylurea
SMILESCCCOc1ccc(NC(=O)NCC)cc1-c1nc2c(c(C)nn2C)c(=O)[nH]1
InChIInChI=1S/C19H24N6O3/c1-5-9-28-14-8-7-12(21-19(27)20-6-2)10-13(14)16-22-17-15(18(26)23-16)11(3)24-25(17)4/h7-8,10H,5-6,9H2,1-4H3,(H2,20,21,27)(H,22,23,26)
InChIKeySSERZJAKCBZRSU-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.56
Rot. Bonds6

About 1-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]-3-ethylurea

1-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]-3-ethylurea (PubChem CID 135493551) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]-3-ethylurea.

Molecular Properties

Compound Name1-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]-3-ethylurea
PubChem CID135493551
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Name1-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]-3-ethylurea
SMILESCCCOc1ccc(NC(=O)NCC)cc1-c1nc2c(c(C)nn2C)c(=O)[nH]1
InChIInChI=1S/C19H24N6O3/c1-5-9-28-14-8-7-12(21-19(27)20-6-2)10-13(14)16-22-17-15(18(26)23-16)11(3)24-25(17)4/h7-8,10H,5-6,9H2,1-4H3,(H2,20,21,27)(H,22,23,26)
InChIKeySSERZJAKCBZRSU-UHFFFAOYSA-N
XLogP2.56
TPSA113.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.56
H-Bond Donors ≤ 53
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
1-[3-(1,3-Dimethyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]-3-(4-fluoro-phenyl)-urea
CID 135423938
3-Methyl-6-(2-propoxy-phenyl)-1-propyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135503803
1-Ethyl-3-methyl-6-(5-nitro-2-propoxy-phenyl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135513951
[3-(1,3-Dimethyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]-thiourea
CID 135513970
N-[3-(1,3-Dimethyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]-acetamide
CID 135536802
1,3-Dimethyl-6-(5-nitro-2-propoxy-phenyl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135536783
1-(4-methoxyphenyl)-3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]urea
CID 135869429
1-[4-(benzyloxy)phenyl]-3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]urea
CID 135869431
6-(2-Ethoxy-phenyl)-3-methyl-1-propyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 136132276
5-amino-1-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-N-(2-methoxybenzyl)-1H-1,2,3-triazole-4-carboxamide
CID 3237012
N-[3-(1,3-Dimethyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]-4-fluoro-benzamide
CID 135406502

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]-3-ethylurea?
The IUPAC name of 1-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]-3-ethylurea (CID 135493551) is 1-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]-3-ethylurea.
What is the SMILES notation for 1-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]-3-ethylurea?
The canonical SMILES for 1-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]-3-ethylurea is CCCOc1ccc(NC(=O)NCC)cc1-c1nc2c(c(C)nn2C)c(=O)[nH]1.
What is the InChIKey of 1-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]-3-ethylurea?
The InChIKey is SSERZJAKCBZRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-5-9-28-14-8-7-12(21-19(27)20-6-2)10-13(14)16-22-17-15(18(26)23-16)11(3)24-25(17)4/h7-8,10H,5-6,9H2,1-4H3,(H2,20,21,27)(H,22,23,26).
What are the key properties of 1-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]-3-ethylurea?
1-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]-3-ethylurea has a molecular weight of 384.44 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]-3-ethylurea is sourced from PubChem (CID 135493551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).