7-(4-methyloxolan-3-yl)-2-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile

C19H23N7O2 — CID 167259894

IUPAC7-(4-methyloxolan-3-yl)-2-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile
SMILESCC(C)Oc1nn(C)cc1Nc1ncc2cc(C#N)n(C3COCC3C)c2n1
InChIInChI=1S/C19H23N7O2/c1-11(2)28-18-15(8-25(4)24-18)22-19-21-7-13-5-14(6-20)26(17(13)23-19)16-10-27-9-12(16)3/h5,7-8,11-12,16H,9-10H2,1-4H3,(H,21,22,23)
InChIKeyOISXXAXNPBGDFO-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.77
Rot. Bonds5

About 7-(4-methyloxolan-3-yl)-2-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile

7-(4-methyloxolan-3-yl)-2-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 167259894) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 7-(4-methyloxolan-3-yl)-2-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-(4-methyloxolan-3-yl)-2-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile
PubChem CID167259894
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC Name7-(4-methyloxolan-3-yl)-2-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile
SMILESCC(C)Oc1nn(C)cc1Nc1ncc2cc(C#N)n(C3COCC3C)c2n1
InChIInChI=1S/C19H23N7O2/c1-11(2)28-18-15(8-25(4)24-18)22-19-21-7-13-5-14(6-20)26(17(13)23-19)16-10-27-9-12(16)3/h5,7-8,11-12,16H,9-10H2,1-4H3,(H,21,22,23)
InChIKeyOISXXAXNPBGDFO-UHFFFAOYSA-N
XLogP2.77
TPSA102.81 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

7-[(3R,4R)-4-methoxyoxolan-3-yl]-2-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile
CID 166178186
2-[[1-methyl-3-(oxetan-3-yloxy)pyrazol-4-yl]amino]-7-[(3S,4R)-4-methyloxolan-3-yl]pyrrolo[2,3-d]pyrimidine-6-carbonitrile
CID 166178171
7-[(3R,4R)-4-ethyloxolan-3-yl]-2-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile
CID 166513447
2-[[3-[(3R,4R)-4-methoxyoxolan-3-yl]oxy-1-methylpyrazol-4-yl]amino]-7-[(3R,4R)-4-methyloxolan-3-yl]pyrrolo[2,3-d]pyrimidine-6-carbonitrile
CID 166513211
2-[[3-(2-hydroxy-2-methylpropoxy)-1-methylpyrazol-4-yl]amino]-7-[(3R,4R)-4-methyloxolan-3-yl]pyrrolo[2,3-d]pyrimidine-6-carbonitrile
CID 166513370
2-[[3-(1-acetyl-2,2-dimethylazetidin-3-yl)oxy-1-methylpyrazol-4-yl]amino]-7-[(3R,4R)-4-methyloxolan-3-yl]pyrrolo[2,3-d]pyrimidine-6-carbonitrile
CID 166513246
2-[[3-cyclopropyloxy-1-(oxetan-3-yl)pyrazol-4-yl]amino]-7-[(3R,4R)-4-methyloxolan-3-yl]pyrrolo[2,3-d]pyrimidine-6-carbonitrile
CID 166513338
2-[[3-[(3R)-5,5-dimethyloxolan-3-yl]oxy-1-(trideuteriomethyl)pyrazol-4-yl]amino]-7-[(3R,4R)-4-methyloxolan-3-yl]pyrrolo[2,3-d]pyrimidine-6-carbonitrile
CID 166528198
2-[[3-(3,3-difluorocyclobutyl)oxy-1-methylpyrazol-4-yl]amino]-7-[(3R,4R)-4-methoxyoxolan-3-yl]pyrrolo[2,3-d]pyrimidine-6-carbonitrile
CID 166513203
CID 174027983
CID 174027983
2-[[1-methyl-3-(oxetan-3-yloxy)pyrazol-4-yl]amino]-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidine-6-carbonitrile
CID 166178193
7-[(3R,4R)-4-methoxyoxolan-3-yl]-2-[[1-(oxetan-3-yl)-3-(1,1,1-trifluoropropan-2-yloxy)pyrazol-4-yl]amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile
CID 166513307

Frequently Asked Questions

What is the IUPAC name of 7-(4-methyloxolan-3-yl)-2-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 7-(4-methyloxolan-3-yl)-2-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile (CID 167259894) is 7-(4-methyloxolan-3-yl)-2-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-(4-methyloxolan-3-yl)-2-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-(4-methyloxolan-3-yl)-2-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile is CC(C)Oc1nn(C)cc1Nc1ncc2cc(C#N)n(C3COCC3C)c2n1.
What is the InChIKey of 7-(4-methyloxolan-3-yl)-2-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is OISXXAXNPBGDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2/c1-11(2)28-18-15(8-25(4)24-18)22-19-21-7-13-5-14(6-20)26(17(13)23-19)16-10-27-9-12(16)3/h5,7-8,11-12,16H,9-10H2,1-4H3,(H,21,22,23).
What are the key properties of 7-(4-methyloxolan-3-yl)-2-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile?
7-(4-methyloxolan-3-yl)-2-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 381.44 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methyloxolan-3-yl)-2-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 167259894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).