3-(2-hydroxypropan-2-yloxy)-N-methoxy-N,3-dimethyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-2-carboxamide

C18H26N4O5 — CID 142528205

IUPAC3-(2-hydroxypropan-2-yloxy)-N-methoxy-N,3-dimethyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-2-carboxamide
SMILESCON(C)C(=O)C1OC(n2ccc3c(C)ncnc32)CC1(C)OC(C)(C)O
InChIInChI=1S/C18H26N4O5/c1-11-12-7-8-22(15(12)20-10-19-11)13-9-18(4,27-17(2,3)24)14(26-13)16(23)21(5)25-6/h7-8,10,13-14,24H,9H2,1-6H3
InChIKeyMBYZKASYJSAZCB-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.55
Rot. Bonds5

About 3-(2-hydroxypropan-2-yloxy)-N-methoxy-N,3-dimethyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-2-carboxamide

3-(2-hydroxypropan-2-yloxy)-N-methoxy-N,3-dimethyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-2-carboxamide (PubChem CID 142528205) has the molecular formula C18H26N4O5 and a molecular weight of 378.43 g/mol. Its IUPAC name is 3-(2-hydroxypropan-2-yloxy)-N-methoxy-N,3-dimethyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxypropan-2-yloxy)-N-methoxy-N,3-dimethyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-2-carboxamide
PubChem CID142528205
Molecular FormulaC18H26N4O5
Molecular Weight378.43 g/mol
Exact Mass378.19
IUPAC Name3-(2-hydroxypropan-2-yloxy)-N-methoxy-N,3-dimethyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-2-carboxamide
SMILESCON(C)C(=O)C1OC(n2ccc3c(C)ncnc32)CC1(C)OC(C)(C)O
InChIInChI=1S/C18H26N4O5/c1-11-12-7-8-22(15(12)20-10-19-11)13-9-18(4,27-17(2,3)24)14(26-13)16(23)21(5)25-6/h7-8,10,13-14,24H,9H2,1-6H3
InChIKeyMBYZKASYJSAZCB-UHFFFAOYSA-N
XLogP1.55
TPSA98.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-N-methoxy-N-methyloxolane-2-carboxamide;propane-2,2-diol
CID 145183395
[5-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol;propane-2,2-diol
CID 142528248
7-[(3aS,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-4-methylpyrrolo[2,3-d]pyrimidine
CID 122497022
propan-2-yl (2S)-4-[[(2R,4aR,6R,7R,7aR)-7-chloro-7-methyl-6-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]-2-methylbutanoate
CID 159601962
bis[(1S,2S,3S,4R)-2,3-dihydroxy-4-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl] carbonate
CID 138521086
[(1R,5R,6R,8R,9R)-3,3-dimethyl-6-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2,4,7-trioxatricyclo[6.3.0.01,5]undecan-9-yl] trifluoromethanesulfonate
CID 156756370
1-[(3aR,4R,6R,6aS)-2,2-dimethyl-4-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-yn-1-one
CID 122482745
[3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]methanol;propane-2,2-diol
CID 155738609
7-[(3aR,4R,6S,6aR)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-methylpyrrolo[2,3-d]pyrimidine
CID 122482658
(2R,3S,4R,5R)-2-[(1R)-1-(3,4-difluorophenyl)-1-hydroxyethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
CID 159193061
4-chloro-7-[5-(methoxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidine
CID 137490930
2-[cyclopropyl(hydroxy)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
CID 139538535

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropan-2-yloxy)-N-methoxy-N,3-dimethyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-2-carboxamide?
The IUPAC name of 3-(2-hydroxypropan-2-yloxy)-N-methoxy-N,3-dimethyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-2-carboxamide (CID 142528205) is 3-(2-hydroxypropan-2-yloxy)-N-methoxy-N,3-dimethyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-2-carboxamide.
What is the SMILES notation for 3-(2-hydroxypropan-2-yloxy)-N-methoxy-N,3-dimethyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-2-carboxamide?
The canonical SMILES for 3-(2-hydroxypropan-2-yloxy)-N-methoxy-N,3-dimethyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-2-carboxamide is CON(C)C(=O)C1OC(n2ccc3c(C)ncnc32)CC1(C)OC(C)(C)O.
What is the InChIKey of 3-(2-hydroxypropan-2-yloxy)-N-methoxy-N,3-dimethyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-2-carboxamide?
The InChIKey is MBYZKASYJSAZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O5/c1-11-12-7-8-22(15(12)20-10-19-11)13-9-18(4,27-17(2,3)24)14(26-13)16(23)21(5)25-6/h7-8,10,13-14,24H,9H2,1-6H3.
What are the key properties of 3-(2-hydroxypropan-2-yloxy)-N-methoxy-N,3-dimethyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-2-carboxamide?
3-(2-hydroxypropan-2-yloxy)-N-methoxy-N,3-dimethyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-2-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropan-2-yloxy)-N-methoxy-N,3-dimethyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-2-carboxamide is sourced from PubChem (CID 142528205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).