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

C19H23N7O3 — CID 166178186

IUPAC7-[(3R,4R)-4-methoxyoxolan-3-yl]-2-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile
SMILESCO[C@H]1COC[C@H]1n1c(C#N)cc2cnc(Nc3cn(C)nc3OC(C)C)nc21
InChIInChI=1S/C19H23N7O3/c1-11(2)29-18-14(8-25(3)24-18)22-19-21-7-12-5-13(6-20)26(17(12)23-19)15-9-28-10-16(15)27-4/h5,7-8,11,15-16H,9-10H2,1-4H3,(H,21,22,23)/t15-,16+/m1/s1
InChIKeyPPCZWBRYMKZDHU-CVEARBPZSA-N
MW397.44 g/mol
LogP2.15
Rot. Bonds6

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

7-[(3R,4R)-4-methoxyoxolan-3-yl]-2-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 166178186) has the molecular formula C19H23N7O3 and a molecular weight of 397.44 g/mol. Its IUPAC name is 7-[(3R,4R)-4-methoxyoxolan-3-yl]-2-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-[(3R,4R)-4-methoxyoxolan-3-yl]-2-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile
PubChem CID166178186
Molecular FormulaC19H23N7O3
Molecular Weight397.44 g/mol
Exact Mass397.19
IUPAC Name7-[(3R,4R)-4-methoxyoxolan-3-yl]-2-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile
SMILESCO[C@H]1COC[C@H]1n1c(C#N)cc2cnc(Nc3cn(C)nc3OC(C)C)nc21
InChIInChI=1S/C19H23N7O3/c1-11(2)29-18-14(8-25(3)24-18)22-19-21-7-12-5-13(6-20)26(17(12)23-19)15-9-28-10-16(15)27-4/h5,7-8,11,15-16H,9-10H2,1-4H3,(H,21,22,23)/t15-,16+/m1/s1
InChIKeyPPCZWBRYMKZDHU-CVEARBPZSA-N
XLogP2.15
TPSA112.04 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 7-[(3R,4R)-4-methoxyoxolan-3-yl]-2-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[(3R,4R)-4-methoxyoxolan-3-yl]-2-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 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) is 7-[(3R,4R)-4-methoxyoxolan-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-[(3R,4R)-4-methoxyoxolan-3-yl]-2-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-[(3R,4R)-4-methoxyoxolan-3-yl]-2-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile is CO[C@H]1COC[C@H]1n1c(C#N)cc2cnc(Nc3cn(C)nc3OC(C)C)nc21.
What is the InChIKey of 7-[(3R,4R)-4-methoxyoxolan-3-yl]-2-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is PPCZWBRYMKZDHU-CVEARBPZSA-N. The full InChI is InChI=1S/C19H23N7O3/c1-11(2)29-18-14(8-25(3)24-18)22-19-21-7-12-5-13(6-20)26(17(12)23-19)15-9-28-10-16(15)27-4/h5,7-8,11,15-16H,9-10H2,1-4H3,(H,21,22,23)/t15-,16+/m1/s1.
What are the key properties of 7-[(3R,4R)-4-methoxyoxolan-3-yl]-2-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile?
7-[(3R,4R)-4-methoxyoxolan-3-yl]-2-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 397.44 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3R,4R)-4-methoxyoxolan-3-yl]-2-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 166178186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).