(2R)-8-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-methyl-2-propan-2-yl-2,3-dihydropyrido[3,4-b]pyrazine-4-carboxamide

C19H20BrClN8O — CID 169122197

IUPAC(2R)-8-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-methyl-2-propan-2-yl-2,3-dihydropyrido[3,4-b]pyrazine-4-carboxamide
SMILESCC(C)[C@@H]1CN(C(=O)Nc2cnc(-n3nccn3)c(Cl)c2)c2cncc(Br)c2N1C
InChIInChI=1S/C19H20BrClN8O/c1-11(2)16-10-28(15-9-22-8-13(20)17(15)27(16)3)19(30)26-12-6-14(21)18(23-7-12)29-24-4-5-25-29/h4-9,11,16H,10H2,1-3H3,(H,26,30)/t16-/m0/s1
InChIKeyICRCRXPZQZIDMR-INIZCTEOSA-N
MW491.78 g/mol
LogP3.99
Rot. Bonds3

About (2R)-8-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-methyl-2-propan-2-yl-2,3-dihydropyrido[3,4-b]pyrazine-4-carboxamide

(2R)-8-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-methyl-2-propan-2-yl-2,3-dihydropyrido[3,4-b]pyrazine-4-carboxamide (PubChem CID 169122197) has the molecular formula C19H20BrClN8O and a molecular weight of 491.78 g/mol. Its IUPAC name is (2R)-8-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-methyl-2-propan-2-yl-2,3-dihydropyrido[3,4-b]pyrazine-4-carboxamide.

Molecular Properties

Compound Name(2R)-8-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-methyl-2-propan-2-yl-2,3-dihydropyrido[3,4-b]pyrazine-4-carboxamide
PubChem CID169122197
Molecular FormulaC19H20BrClN8O
Molecular Weight491.78 g/mol
Exact Mass490.06
IUPAC Name(2R)-8-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-methyl-2-propan-2-yl-2,3-dihydropyrido[3,4-b]pyrazine-4-carboxamide
SMILESCC(C)[C@@H]1CN(C(=O)Nc2cnc(-n3nccn3)c(Cl)c2)c2cncc(Br)c2N1C
InChIInChI=1S/C19H20BrClN8O/c1-11(2)16-10-28(15-9-22-8-13(20)17(15)27(16)3)19(30)26-12-6-14(21)18(23-7-12)29-24-4-5-25-29/h4-9,11,16H,10H2,1-3H3,(H,26,30)/t16-/m0/s1
InChIKeyICRCRXPZQZIDMR-INIZCTEOSA-N
XLogP3.99
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.78
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-8-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-methyl-2-propan-2-yl-2,3-dihydropyrido[3,4-b]pyrazine-4-carboxamide?
The IUPAC name of (2R)-8-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-methyl-2-propan-2-yl-2,3-dihydropyrido[3,4-b]pyrazine-4-carboxamide (CID 169122197) is (2R)-8-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-methyl-2-propan-2-yl-2,3-dihydropyrido[3,4-b]pyrazine-4-carboxamide.
What is the SMILES notation for (2R)-8-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-methyl-2-propan-2-yl-2,3-dihydropyrido[3,4-b]pyrazine-4-carboxamide?
The canonical SMILES for (2R)-8-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-methyl-2-propan-2-yl-2,3-dihydropyrido[3,4-b]pyrazine-4-carboxamide is CC(C)[C@@H]1CN(C(=O)Nc2cnc(-n3nccn3)c(Cl)c2)c2cncc(Br)c2N1C.
What is the InChIKey of (2R)-8-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-methyl-2-propan-2-yl-2,3-dihydropyrido[3,4-b]pyrazine-4-carboxamide?
The InChIKey is ICRCRXPZQZIDMR-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20BrClN8O/c1-11(2)16-10-28(15-9-22-8-13(20)17(15)27(16)3)19(30)26-12-6-14(21)18(23-7-12)29-24-4-5-25-29/h4-9,11,16H,10H2,1-3H3,(H,26,30)/t16-/m0/s1.
What are the key properties of (2R)-8-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-methyl-2-propan-2-yl-2,3-dihydropyrido[3,4-b]pyrazine-4-carboxamide?
(2R)-8-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-methyl-2-propan-2-yl-2,3-dihydropyrido[3,4-b]pyrazine-4-carboxamide has a molecular weight of 491.78 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-8-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-methyl-2-propan-2-yl-2,3-dihydropyrido[3,4-b]pyrazine-4-carboxamide is sourced from PubChem (CID 169122197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).