4-chloro-N-[2-[1-(2,3-dihydroxypropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide

C20H21ClN6O4 — CID 76684811

IUPAC4-chloro-N-[2-[1-(2,3-dihydroxypropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2cnc3[nH]c(C4=CCN(C(=O)C(O)CO)CC4)cc3c2)c1Cl
InChIInChI=1S/C20H21ClN6O4/c1-10-16(21)17(26-25-10)19(30)23-13-6-12-7-14(24-18(12)22-8-13)11-2-4-27(5-3-11)20(31)15(29)9-28/h2,6-8,15,28-29H,3-5,9H2,1H3,(H,22,24)(H,23,30)(H,25,26)
InChIKeyNYOPLILWVRNKJU-UHFFFAOYSA-N
MW444.88 g/mol
LogP1.47
Rot. Bonds5

About 4-chloro-N-[2-[1-(2,3-dihydroxypropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide

4-chloro-N-[2-[1-(2,3-dihydroxypropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 76684811) has the molecular formula C20H21ClN6O4 and a molecular weight of 444.88 g/mol. Its IUPAC name is 4-chloro-N-[2-[1-(2,3-dihydroxypropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-[1-(2,3-dihydroxypropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID76684811
Molecular FormulaC20H21ClN6O4
Molecular Weight444.88 g/mol
Exact Mass444.13
IUPAC Name4-chloro-N-[2-[1-(2,3-dihydroxypropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2cnc3[nH]c(C4=CCN(C(=O)C(O)CO)CC4)cc3c2)c1Cl
InChIInChI=1S/C20H21ClN6O4/c1-10-16(21)17(26-25-10)19(30)23-13-6-12-7-14(24-18(12)22-8-13)11-2-4-27(5-3-11)20(31)15(29)9-28/h2,6-8,15,28-29H,3-5,9H2,1H3,(H,22,24)(H,23,30)(H,25,26)
InChIKeyNYOPLILWVRNKJU-UHFFFAOYSA-N
XLogP1.47
TPSA147.23 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.88
LogP ≤ 51.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-[2-[1-(2,3-dihydroxypropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[1-(2,3-dihydroxypropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-[2-[1-(2,3-dihydroxypropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide (CID 76684811) is 4-chloro-N-[2-[1-(2,3-dihydroxypropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-[1-(2,3-dihydroxypropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-[2-[1-(2,3-dihydroxypropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)Nc2cnc3[nH]c(C4=CCN(C(=O)C(O)CO)CC4)cc3c2)c1Cl.
What is the InChIKey of 4-chloro-N-[2-[1-(2,3-dihydroxypropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is NYOPLILWVRNKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O4/c1-10-16(21)17(26-25-10)19(30)23-13-6-12-7-14(24-18(12)22-8-13)11-2-4-27(5-3-11)20(31)15(29)9-28/h2,6-8,15,28-29H,3-5,9H2,1H3,(H,22,24)(H,23,30)(H,25,26).
What are the key properties of 4-chloro-N-[2-[1-(2,3-dihydroxypropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide?
4-chloro-N-[2-[1-(2,3-dihydroxypropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 444.88 g/mol, XLogP of 1.47, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[1-(2,3-dihydroxypropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 76684811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).