(4R)-1-ethyl-4-[2-(methoxymethyl)pyrimidin-5-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C14H17N5O2 — CID 136713796

IUPAC(4R)-1-ethyl-4-[2-(methoxymethyl)pyrimidin-5-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCn1ncc2c1NC(=O)C[C@@H]2c1cnc(COC)nc1
InChIInChI=1S/C14H17N5O2/c1-3-19-14-11(7-17-19)10(4-13(20)18-14)9-5-15-12(8-21-2)16-6-9/h5-7,10H,3-4,8H2,1-2H3,(H,18,20)/t10-/m1/s1
InChIKeyKRVXNRPHODPLAK-SNVBAGLBSA-N
MW287.32 g/mol
LogP1.31
Rot. Bonds4

About (4R)-1-ethyl-4-[2-(methoxymethyl)pyrimidin-5-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4R)-1-ethyl-4-[2-(methoxymethyl)pyrimidin-5-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136713796) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is (4R)-1-ethyl-4-[2-(methoxymethyl)pyrimidin-5-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-1-ethyl-4-[2-(methoxymethyl)pyrimidin-5-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136713796
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name(4R)-1-ethyl-4-[2-(methoxymethyl)pyrimidin-5-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCn1ncc2c1NC(=O)C[C@@H]2c1cnc(COC)nc1
InChIInChI=1S/C14H17N5O2/c1-3-19-14-11(7-17-19)10(4-13(20)18-14)9-5-15-12(8-21-2)16-6-9/h5-7,10H,3-4,8H2,1-2H3,(H,18,20)/t10-/m1/s1
InChIKeyKRVXNRPHODPLAK-SNVBAGLBSA-N
XLogP1.31
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1-ethyl-5-methylpyrazol-4-yl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632796
1-ethyl-4-[3-(2-hydroxyethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169420538
1-ethyl-4-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135783975
(4S)-4-[2-(ethylamino)pyrimidin-5-yl]-1-(pyridin-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136698029
4-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one;formic acid
CID 171339502
(4R)-4-(2-propylsulfanylpyrimidin-5-yl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136820565
(4R)-4-(2-ethyl-1,2,4-triazol-3-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136737610
(4S)-4-phenyl-1-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136899685
(4R)-4-(1-ethyl-5-methylpyrazol-4-yl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 95389300
(4S)-1-tert-butyl-4-(4-ethylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826055
1-(cyclopropylmethyl)-4-(6-methoxy-2-pyridinyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 170502065
(4R)-1-propan-2-yl-4-(2-propoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826011

Frequently Asked Questions

What is the IUPAC name of (4R)-1-ethyl-4-[2-(methoxymethyl)pyrimidin-5-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4R)-1-ethyl-4-[2-(methoxymethyl)pyrimidin-5-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136713796) is (4R)-1-ethyl-4-[2-(methoxymethyl)pyrimidin-5-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-1-ethyl-4-[2-(methoxymethyl)pyrimidin-5-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R)-1-ethyl-4-[2-(methoxymethyl)pyrimidin-5-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is CCn1ncc2c1NC(=O)C[C@@H]2c1cnc(COC)nc1.
What is the InChIKey of (4R)-1-ethyl-4-[2-(methoxymethyl)pyrimidin-5-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is KRVXNRPHODPLAK-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-3-19-14-11(7-17-19)10(4-13(20)18-14)9-5-15-12(8-21-2)16-6-9/h5-7,10H,3-4,8H2,1-2H3,(H,18,20)/t10-/m1/s1.
What are the key properties of (4R)-1-ethyl-4-[2-(methoxymethyl)pyrimidin-5-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4R)-1-ethyl-4-[2-(methoxymethyl)pyrimidin-5-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 287.32 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-ethyl-4-[2-(methoxymethyl)pyrimidin-5-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136713796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).