carbamoyl 4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline-7-carboxylate

C24H17N5O3 — CID 91395309

IUPACcarbamoyl 4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline-7-carboxylate
SMILESCc1cccc(-c2nn3ccccc3c2-c2ccnc3cc(C(=O)OC(N)=O)ccc23)n1
InChIInChI=1S/C24H17N5O3/c1-14-5-4-6-18(27-14)22-21(20-7-2-3-12-29(20)28-22)17-10-11-26-19-13-15(8-9-16(17)19)23(30)32-24(25)31/h2-13H,1H3,(H2,25,31)
InChIKeyRXHTYWFLBTUNBP-UHFFFAOYSA-N
MW423.43 g/mol
LogP4.16
Rot. Bonds3

About carbamoyl 4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline-7-carboxylate

carbamoyl 4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline-7-carboxylate (PubChem CID 91395309) has the molecular formula C24H17N5O3 and a molecular weight of 423.43 g/mol. Its IUPAC name is carbamoyl 4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline-7-carboxylate.

Molecular Properties

Compound Namecarbamoyl 4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline-7-carboxylate
PubChem CID91395309
Molecular FormulaC24H17N5O3
Molecular Weight423.43 g/mol
Exact Mass423.13
IUPAC Namecarbamoyl 4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline-7-carboxylate
SMILESCc1cccc(-c2nn3ccccc3c2-c2ccnc3cc(C(=O)OC(N)=O)ccc23)n1
InChIInChI=1S/C24H17N5O3/c1-14-5-4-6-18(27-14)22-21(20-7-2-3-12-29(20)28-22)17-10-11-26-19-13-15(8-9-16(17)19)23(30)32-24(25)31/h2-13H,1H3,(H2,25,31)
InChIKeyRXHTYWFLBTUNBP-UHFFFAOYSA-N
XLogP4.16
TPSA112.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbamoyl 4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline-7-carboxylate?
The IUPAC name of carbamoyl 4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline-7-carboxylate (CID 91395309) is carbamoyl 4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline-7-carboxylate.
What is the SMILES notation for carbamoyl 4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline-7-carboxylate?
The canonical SMILES for carbamoyl 4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline-7-carboxylate is Cc1cccc(-c2nn3ccccc3c2-c2ccnc3cc(C(=O)OC(N)=O)ccc23)n1.
What is the InChIKey of carbamoyl 4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline-7-carboxylate?
The InChIKey is RXHTYWFLBTUNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O3/c1-14-5-4-6-18(27-14)22-21(20-7-2-3-12-29(20)28-22)17-10-11-26-19-13-15(8-9-16(17)19)23(30)32-24(25)31/h2-13H,1H3,(H2,25,31).
What are the key properties of carbamoyl 4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline-7-carboxylate?
carbamoyl 4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline-7-carboxylate has a molecular weight of 423.43 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl 4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline-7-carboxylate is sourced from PubChem (CID 91395309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).