N-[4-(4-tert-butylphenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide

C26H30N4O2 — CID 137084629

IUPACN-[4-(4-tert-butylphenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2C(=O)Nc3c(c(C)nn3C)C2c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C26H30N4O2/c1-15-8-7-9-18(14-15)24(31)27-22-21(17-10-12-19(13-11-17)26(3,4)5)20-16(2)29-30(6)23(20)28-25(22)32/h7-14,21-22H,1-6H3,(H,27,31)(H,28,32)
InChIKeyOYRLIIJGIWKNFM-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.22
Rot. Bonds3

About N-[4-(4-tert-butylphenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide

N-[4-(4-tert-butylphenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide (PubChem CID 137084629) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[4-(4-tert-butylphenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-(4-tert-butylphenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide
PubChem CID137084629
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC NameN-[4-(4-tert-butylphenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2C(=O)Nc3c(c(C)nn3C)C2c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C26H30N4O2/c1-15-8-7-9-18(14-15)24(31)27-22-21(17-10-12-19(13-11-17)26(3,4)5)20-16(2)29-30(6)23(20)28-25(22)32/h7-14,21-22H,1-6H3,(H,27,31)(H,28,32)
InChIKeyOYRLIIJGIWKNFM-UHFFFAOYSA-N
XLogP4.22
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-tert-butylphenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide?
The IUPAC name of N-[4-(4-tert-butylphenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide (CID 137084629) is N-[4-(4-tert-butylphenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide.
What is the SMILES notation for N-[4-(4-tert-butylphenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide?
The canonical SMILES for N-[4-(4-tert-butylphenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide is Cc1cccc(C(=O)NC2C(=O)Nc3c(c(C)nn3C)C2c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of N-[4-(4-tert-butylphenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide?
The InChIKey is OYRLIIJGIWKNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-15-8-7-9-18(14-15)24(31)27-22-21(17-10-12-19(13-11-17)26(3,4)5)20-16(2)29-30(6)23(20)28-25(22)32/h7-14,21-22H,1-6H3,(H,27,31)(H,28,32).
What are the key properties of N-[4-(4-tert-butylphenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide?
N-[4-(4-tert-butylphenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide has a molecular weight of 430.55 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-tert-butylphenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide is sourced from PubChem (CID 137084629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).