5-methoxy-2-[1-[1-(2-morpholin-4-ylethyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one

C19H26N6O4 — CID 166342467

IUPAC5-methoxy-2-[1-[1-(2-morpholin-4-ylethyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one
SMILESCOc1cnc(C2CCCN2C(=O)c2cnn(CCN3CCOCC3)c2)[nH]c1=O
InChIInChI=1S/C19H26N6O4/c1-28-16-12-20-17(22-18(16)26)15-3-2-4-25(15)19(27)14-11-21-24(13-14)6-5-23-7-9-29-10-8-23/h11-13,15H,2-10H2,1H3,(H,20,22,26)
InChIKeyPAQNJZXDFHJICJ-UHFFFAOYSA-N
MW402.46 g/mol
LogP0.28
Rot. Bonds6

About 5-methoxy-2-[1-[1-(2-morpholin-4-ylethyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one

5-methoxy-2-[1-[1-(2-morpholin-4-ylethyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one (PubChem CID 166342467) has the molecular formula C19H26N6O4 and a molecular weight of 402.46 g/mol. Its IUPAC name is 5-methoxy-2-[1-[1-(2-morpholin-4-ylethyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-2-[1-[1-(2-morpholin-4-ylethyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one
PubChem CID166342467
Molecular FormulaC19H26N6O4
Molecular Weight402.46 g/mol
Exact Mass402.20
IUPAC Name5-methoxy-2-[1-[1-(2-morpholin-4-ylethyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one
SMILESCOc1cnc(C2CCCN2C(=O)c2cnn(CCN3CCOCC3)c2)[nH]c1=O
InChIInChI=1S/C19H26N6O4/c1-28-16-12-20-17(22-18(16)26)15-3-2-4-25(15)19(27)14-11-21-24(13-14)6-5-23-7-9-29-10-8-23/h11-13,15H,2-10H2,1H3,(H,20,22,26)
InChIKeyPAQNJZXDFHJICJ-UHFFFAOYSA-N
XLogP0.28
TPSA105.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[1-(2-cyclopropylpyridine-4-carbonyl)pyrrolidin-2-yl]-5-methoxy-1H-pyrimidin-6-one
CID 154867554
5-methoxy-2-[1-[(1S,2R,5S)-6-oxabicyclo[3.2.1]octane-2-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 154867922
[(2S)-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 97009815
2-(4-methoxyphenyl)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 136511992
7-propanoyl-2-[(2R)-1-(1-propylpyrazole-4-carbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136735150
7-(cyclohexylmethyl)-2-[1-(1-ethylpyrazole-4-carbonyl)pyrrolidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136795754
(1-propylpyrazol-4-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 110259105
(1-methylpyrazol-4-yl)-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 95824584
2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-2-yl]-5-methoxy-1H-pyrimidin-6-one
CID 138026447
N,N-diethyl-5-[(2R)-1-(1-propylpyrazole-4-carbonyl)piperidin-2-yl]-1H-pyrazole-4-carboxamide
CID 124967626
N,N-diethyl-5-[(2S)-1-(1-propylpyrazole-4-carbonyl)piperidin-2-yl]-1H-pyrazole-4-carboxamide
CID 124967625
methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-4-morpholin-4-yl-1-oxobutan-2-yl]carbamate
CID 91458479

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[1-[1-(2-morpholin-4-ylethyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-2-[1-[1-(2-morpholin-4-ylethyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one (CID 166342467) is 5-methoxy-2-[1-[1-(2-morpholin-4-ylethyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-2-[1-[1-(2-morpholin-4-ylethyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-2-[1-[1-(2-morpholin-4-ylethyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one is COc1cnc(C2CCCN2C(=O)c2cnn(CCN3CCOCC3)c2)[nH]c1=O.
What is the InChIKey of 5-methoxy-2-[1-[1-(2-morpholin-4-ylethyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one?
The InChIKey is PAQNJZXDFHJICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O4/c1-28-16-12-20-17(22-18(16)26)15-3-2-4-25(15)19(27)14-11-21-24(13-14)6-5-23-7-9-29-10-8-23/h11-13,15H,2-10H2,1H3,(H,20,22,26).
What are the key properties of 5-methoxy-2-[1-[1-(2-morpholin-4-ylethyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one?
5-methoxy-2-[1-[1-(2-morpholin-4-ylethyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one has a molecular weight of 402.46 g/mol, XLogP of 0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[1-[1-(2-morpholin-4-ylethyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 166342467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).