2-(5-chloroindazol-1-yl)-N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-hydroxy-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C22H19ClN8O3 — CID 71290411

IUPAC2-(5-chloroindazol-1-yl)-N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-hydroxy-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESN#CC1CCN(C(=O)[C@@H](O)NC(=O)c2c[nH]c3ncc(-n4ncc5cc(Cl)ccc54)nc23)CC1
InChIInChI=1S/C22H19ClN8O3/c23-14-1-2-16-13(7-14)9-27-31(16)17-11-26-19-18(28-17)15(10-25-19)20(32)29-21(33)22(34)30-5-3-12(8-24)4-6-30/h1-2,7,9-12,21,33H,3-6H2,(H,25,26)(H,29,32)/t21-/m1/s1
InChIKeyFRIJZSYHZCJZKE-OAQYLSRUSA-N
MW478.90 g/mol
LogP1.76
Rot. Bonds4

About 2-(5-chloroindazol-1-yl)-N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-hydroxy-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-(5-chloroindazol-1-yl)-N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-hydroxy-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71290411) has the molecular formula C22H19ClN8O3 and a molecular weight of 478.90 g/mol. Its IUPAC name is 2-(5-chloroindazol-1-yl)-N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-hydroxy-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(5-chloroindazol-1-yl)-N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-hydroxy-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71290411
Molecular FormulaC22H19ClN8O3
Molecular Weight478.90 g/mol
Exact Mass478.13
IUPAC Name2-(5-chloroindazol-1-yl)-N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-hydroxy-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESN#CC1CCN(C(=O)[C@@H](O)NC(=O)c2c[nH]c3ncc(-n4ncc5cc(Cl)ccc54)nc23)CC1
InChIInChI=1S/C22H19ClN8O3/c23-14-1-2-16-13(7-14)9-27-31(16)17-11-26-19-18(28-17)15(10-25-19)20(32)29-21(33)22(34)30-5-3-12(8-24)4-6-30/h1-2,7,9-12,21,33H,3-6H2,(H,25,26)(H,29,32)/t21-/m1/s1
InChIKeyFRIJZSYHZCJZKE-OAQYLSRUSA-N
XLogP1.76
TPSA152.82 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.90
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroindazol-1-yl)-N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-hydroxy-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(5-chloroindazol-1-yl)-N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-hydroxy-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71290411) is 2-(5-chloroindazol-1-yl)-N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-hydroxy-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(5-chloroindazol-1-yl)-N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-hydroxy-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(5-chloroindazol-1-yl)-N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-hydroxy-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is N#CC1CCN(C(=O)[C@@H](O)NC(=O)c2c[nH]c3ncc(-n4ncc5cc(Cl)ccc54)nc23)CC1.
What is the InChIKey of 2-(5-chloroindazol-1-yl)-N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-hydroxy-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is FRIJZSYHZCJZKE-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H19ClN8O3/c23-14-1-2-16-13(7-14)9-27-31(16)17-11-26-19-18(28-17)15(10-25-19)20(32)29-21(33)22(34)30-5-3-12(8-24)4-6-30/h1-2,7,9-12,21,33H,3-6H2,(H,25,26)(H,29,32)/t21-/m1/s1.
What are the key properties of 2-(5-chloroindazol-1-yl)-N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-hydroxy-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(5-chloroindazol-1-yl)-N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-hydroxy-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 478.90 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloroindazol-1-yl)-N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-hydroxy-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71290411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).