1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-methylphenyl)urea

C24H25N5O — CID 24857591

IUPAC1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(-c3cc(C(C)(C)C)nc4[nH]ncc34)cc2)cc1
InChIInChI=1S/C24H25N5O/c1-15-5-9-17(10-6-15)26-23(30)27-18-11-7-16(8-12-18)19-13-21(24(2,3)4)28-22-20(19)14-25-29-22/h5-14H,1-4H3,(H,25,28,29)(H2,26,27,30)
InChIKeyRNTVWPVYFKFZIF-UHFFFAOYSA-N
MW399.50 g/mol
LogP5.87
Rot. Bonds3

About 1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-methylphenyl)urea

1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-methylphenyl)urea (PubChem CID 24857591) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-methylphenyl)urea
PubChem CID24857591
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(-c3cc(C(C)(C)C)nc4[nH]ncc34)cc2)cc1
InChIInChI=1S/C24H25N5O/c1-15-5-9-17(10-6-15)26-23(30)27-18-11-7-16(8-12-18)19-13-21(24(2,3)4)28-22-20(19)14-25-29-22/h5-14H,1-4H3,(H,25,28,29)(H2,26,27,30)
InChIKeyRNTVWPVYFKFZIF-UHFFFAOYSA-N
XLogP5.87
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.50
LogP ≤ 55.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-methylphenyl)urea (CID 24857591) is 1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2ccc(-c3cc(C(C)(C)C)nc4[nH]ncc34)cc2)cc1.
What is the InChIKey of 1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-methylphenyl)urea?
The InChIKey is RNTVWPVYFKFZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-15-5-9-17(10-6-15)26-23(30)27-18-11-7-16(8-12-18)19-13-21(24(2,3)4)28-22-20(19)14-25-29-22/h5-14H,1-4H3,(H,25,28,29)(H2,26,27,30).
What are the key properties of 1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-methylphenyl)urea?
1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-methylphenyl)urea has a molecular weight of 399.50 g/mol, XLogP of 5.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 24857591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).