1-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-2-ylurea

C19H16N6O — CID 118732090

IUPAC1-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-2-ylurea
SMILESCc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4ccccn4)cc3)c12
InChIInChI=1S/C19H16N6O/c1-12-10-21-18-16(12)17(22-11-23-18)13-5-7-14(8-6-13)24-19(26)25-15-4-2-3-9-20-15/h2-11H,1H3,(H,21,22,23)(H2,20,24,25,26)
InChIKeyCFQFFHHUKUCBGI-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.97
Rot. Bonds3

About 1-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-2-ylurea

1-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-2-ylurea (PubChem CID 118732090) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is 1-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-2-ylurea
PubChem CID118732090
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC Name1-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-2-ylurea
SMILESCc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4ccccn4)cc3)c12
InChIInChI=1S/C19H16N6O/c1-12-10-21-18-16(12)17(22-11-23-18)13-5-7-14(8-6-13)24-19(26)25-15-4-2-3-9-20-15/h2-11H,1H3,(H,21,22,23)(H2,20,24,25,26)
InChIKeyCFQFFHHUKUCBGI-UHFFFAOYSA-N
XLogP3.97
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-2-ylurea?
The IUPAC name of 1-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-2-ylurea (CID 118732090) is 1-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-2-ylurea.
What is the SMILES notation for 1-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-2-ylurea?
The canonical SMILES for 1-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-2-ylurea is Cc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4ccccn4)cc3)c12.
What is the InChIKey of 1-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-2-ylurea?
The InChIKey is CFQFFHHUKUCBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c1-12-10-21-18-16(12)17(22-11-23-18)13-5-7-14(8-6-13)24-19(26)25-15-4-2-3-9-20-15/h2-11H,1H3,(H,21,22,23)(H2,20,24,25,26).
What are the key properties of 1-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-2-ylurea?
1-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-2-ylurea has a molecular weight of 344.38 g/mol, XLogP of 3.97, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-2-ylurea is sourced from PubChem (CID 118732090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).