7-cyclopropyl-N-methyl-N-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidine-4-carboxamide

C23H20N4O2 — CID 167986413

IUPAC7-cyclopropyl-N-methyl-N-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidine-4-carboxamide
SMILESCN(C(=O)c1ncnc2c1ccn2C1CC1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H20N4O2/c1-26(16-9-11-19(12-10-16)29-18-5-3-2-4-6-18)23(28)21-20-13-14-27(17-7-8-17)22(20)25-15-24-21/h2-6,9-15,17H,7-8H2,1H3
InChIKeyUCTAINXGODJRPS-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.84
Rot. Bonds5

About 7-cyclopropyl-N-methyl-N-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidine-4-carboxamide

7-cyclopropyl-N-methyl-N-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidine-4-carboxamide (PubChem CID 167986413) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 7-cyclopropyl-N-methyl-N-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name7-cyclopropyl-N-methyl-N-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidine-4-carboxamide
PubChem CID167986413
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name7-cyclopropyl-N-methyl-N-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidine-4-carboxamide
SMILESCN(C(=O)c1ncnc2c1ccn2C1CC1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H20N4O2/c1-26(16-9-11-19(12-10-16)29-18-5-3-2-4-6-18)23(28)21-20-13-14-27(17-7-8-17)22(20)25-15-24-21/h2-6,9-15,17H,7-8H2,1H3
InChIKeyUCTAINXGODJRPS-UHFFFAOYSA-N
XLogP4.84
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-N-methyl-N-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The IUPAC name of 7-cyclopropyl-N-methyl-N-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidine-4-carboxamide (CID 167986413) is 7-cyclopropyl-N-methyl-N-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidine-4-carboxamide.
What is the SMILES notation for 7-cyclopropyl-N-methyl-N-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The canonical SMILES for 7-cyclopropyl-N-methyl-N-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidine-4-carboxamide is CN(C(=O)c1ncnc2c1ccn2C1CC1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 7-cyclopropyl-N-methyl-N-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The InChIKey is UCTAINXGODJRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-26(16-9-11-19(12-10-16)29-18-5-3-2-4-6-18)23(28)21-20-13-14-27(17-7-8-17)22(20)25-15-24-21/h2-6,9-15,17H,7-8H2,1H3.
What are the key properties of 7-cyclopropyl-N-methyl-N-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidine-4-carboxamide?
7-cyclopropyl-N-methyl-N-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidine-4-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-N-methyl-N-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 167986413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).